Monomers
1-Ethenoxy-1-methyl-4-propan-2-ylcyclohexane
Identifiers
IUPAC name
1-ethenoxy-1-methyl-4-propan-2-ylcyclohexane
InchI
InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5,10-11H,1,6-9H2,2-4H3
InchI Key
WRUMORYYDBPISA-UHFFFAOYSA-N
SMILES
C=COC1(C)CCC(CC1)C(C)C
Canonical SMILES
CC(C)C1CCC(CC1)(C)OC=C
Isomeric SMILES
CC(C)C1CCC(CC1)(C)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O
Heavy Atom Count
13
Molecular Weight
182.307
Exact Molecular Weight
182.1671
Valence Electrons
76
Radical Electrons
0
tPSA
9.23
MolLogP
3.7514
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
35 35 0 0 0 0 0 0 0 0999 V2000
3.9427 1.5879 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6272 0.3242 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -0.2785 0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4639 -0.7582 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 -1.8005 -1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 -1.4367 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -1.4109 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3722 -0.0937 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 0.9307 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9074 0.3967 -1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6880 0.3113 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1590 1.6528 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6827 0.2653 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7547 1.9905 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4054 2.2433 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1800 -0.3114 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2916 -2.6423 -1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2024 -1.3889 -2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9517 -2.2466 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 -0.9210 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8109 -2.4675 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0114 -2.1713 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5841 -1.7923 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5216 -0.1625 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0592 0.9167 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5599 1.9363 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 1.1694 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4880 -0.0009 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4347 -0.4397 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6350 2.5027 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2588 1.7020 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0992 1.6281 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4163 0.9744 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9386 -0.7406 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 0.5310 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
8 11 1 0
11 12 1 0
11 13 1 0
10 4 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
7 23 1 0
8 24 1 0
9 25 1 0
9 26 1 0
10 27 1 0
10 28 1 0
11 29 1 0
12 30 1 0
12 31 1 0
12 32 1 0
13 33 1 0
13 34 1 0
13 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers