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
4.5383 1.1569 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8665 0.1538 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7439 0.4035 0.7441 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5121 -0.3089 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7333 -1.7852 0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5435 0.1979 1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.0538 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1505 0.5793 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 -0.2278 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1229 -0.0906 -0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6021 0.5364 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1216 -0.8746 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4642 1.4207 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4352 1.0286 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2095 2.1635 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2527 -0.8391 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2788 -2.3700 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1983 -2.1367 1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7893 -2.0642 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 1.3203 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8167 -0.2178 2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5253 0.3466 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0116 -1.1668 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8201 1.6216 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 -1.2831 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 0.1938 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6396 -0.8651 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 0.8906 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6487 0.9551 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6591 -1.3619 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9632 -1.4513 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2168 -0.7868 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5243 1.2063 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3316 1.2306 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2651 2.4781 0.0281 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