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
4.2013 1.4396 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8407 0.2779 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 0.1982 0.6528 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5412 -0.4448 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9076 -1.8953 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6451 -0.3314 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8217 -0.4481 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1477 0.4947 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 0.0051 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0414 0.1785 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6119 0.6478 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2964 1.1634 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2585 -0.5533 -0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0379 1.5079 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6673 2.3511 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3934 -0.6088 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2312 -2.3522 0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7316 -1.8456 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 -2.3921 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7793 0.6422 2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9387 -1.1199 2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3744 -0.2244 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -1.5163 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 1.4851 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7143 -1.0587 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6936 0.6247 -2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5895 -0.3087 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 1.2558 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7010 1.4784 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9542 0.3811 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5478 1.4315 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 2.0936 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3364 -0.5605 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7817 -1.5090 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3247 -0.4875 -1.9199 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