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
4.7327 -0.6028 0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4788 -1.0184 0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4543 -0.1661 0.9892 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5476 0.3461 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3901 1.1288 -1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8547 -0.7448 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4665 -1.1463 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -0.0139 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 1.2861 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6373 1.3253 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7273 -0.1648 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3073 -1.4655 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6399 0.9573 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5534 -1.2440 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9698 0.4001 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2822 -2.0302 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4759 1.0336 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1915 0.7888 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 2.2071 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 -1.6522 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7355 -0.5166 -1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0033 -1.7205 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3585 -1.8971 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 -0.0389 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2434 2.1793 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4281 1.2755 -1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 1.0623 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0668 2.3485 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6391 -0.2442 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2320 -1.7455 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5551 -2.2791 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5932 -1.3323 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5523 0.8616 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0272 0.8676 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 1.9551 -0.1485 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