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
4.0325 -1.3558 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8593 -0.7580 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7202 -0.9102 0.7402 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5319 -0.1392 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8919 1.3385 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5208 -0.5729 1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -0.4037 1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1902 -0.3605 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 0.4038 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1464 -0.3699 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 0.1795 -0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6572 -0.6358 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7334 1.6169 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9260 -1.2137 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2612 -1.9935 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6373 -0.1132 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0114 1.9307 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 1.4539 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2275 1.7767 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7218 -1.6470 1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 -0.0074 2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3309 0.4894 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 -1.2734 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1642 -1.4103 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0235 1.4161 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4729 0.4173 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9363 0.0079 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9591 -1.4536 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7012 0.1139 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9077 -0.3215 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5925 -0.4408 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4842 -1.7264 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0450 2.2406 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7599 1.9160 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 1.8055 0.8373 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