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
4.0836 0.5797 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7766 -0.4566 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5921 -1.1493 -0.7748 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4705 -0.8976 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9490 -1.1883 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2191 0.5985 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2015 0.7835 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1048 0.3611 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8224 -1.0207 -0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2945 -1.7144 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5491 0.5243 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5358 0.1270 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8422 1.9078 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0215 1.0957 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4142 0.9229 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4721 -0.7665 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4187 -0.2902 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6210 -2.0598 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 -1.4871 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9610 1.1399 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 0.8845 -1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3463 0.0597 1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3445 1.8133 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9239 1.0687 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6937 -1.0601 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7490 -1.6421 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 -2.2624 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6418 -2.5428 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6659 -0.2160 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2144 0.3937 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7897 -0.9680 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4876 0.6795 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7320 1.9133 1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2421 2.6924 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9216 2.1760 0.2322 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