1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane

C85H170 — CID 167547358

IUPAC1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane
SMILESCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)C1CCCC1.CC1(C)CCCCC1.CC1C2CCC1CC2.CC1CCC(C)CC1.CC1CCCC(C)C1.CC1CCCC[C@H]1C.CCC1(C)CCCC1.C[C@H]1CC2CCC1C2
InChIInChI=1S/C11H24.C10H22.2C8H14.6C8H16/c1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-6-4-7-2-3-8(6)5-7;1-6-7-2-3-8(6)5-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-8(2)6-4-3-5-7-8;1-7-5-3-4-6-8(7)2;1-7(2)8-5-3-4-6-8;1-3-8(2)6-4-5-7-8/h1-8H3;8H,1-7H3;2*6-8H,2-5H2,1H3;2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3/t;;6-,7?,8?;;;;;7-,8?;;/m..0....1../s1
InChIKeyBYOULXIZZURRGU-HYQUFHGTSA-N
MW1192.29 g/mol
LogP29.99
Rot. Bonds2

About 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane

1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane (PubChem CID 167547358) has the molecular formula C85H170 and a molecular weight of 1192.29 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane
PubChem CID167547358
Molecular FormulaC85H170
Molecular Weight1192.29 g/mol
Exact Mass1191.33
IUPAC Name1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane
SMILESCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)C1CCCC1.CC1(C)CCCCC1.CC1C2CCC1CC2.CC1CCC(C)CC1.CC1CCCC(C)C1.CC1CCCC[C@H]1C.CCC1(C)CCCC1.C[C@H]1CC2CCC1C2
InChIInChI=1S/C11H24.C10H22.2C8H14.6C8H16/c1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-6-4-7-2-3-8(6)5-7;1-6-7-2-3-8(6)5-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-8(2)6-4-3-5-7-8;1-7-5-3-4-6-8(7)2;1-7(2)8-5-3-4-6-8;1-3-8(2)6-4-5-7-8/h1-8H3;8H,1-7H3;2*6-8H,2-5H2,1H3;2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3/t;;6-,7?,8?;;;;;7-,8?;;/m..0....1../s1
InChIKeyBYOULXIZZURRGU-HYQUFHGTSA-N
XLogP29.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.29
LogP ≤ 529.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane
CID 167653207
1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane
CID 159579004
bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
CID 163579621
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
CID 159760905
1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane
CID 157232063
(1-ethylcyclopentyl)-(3-methylcyclohexyl)methanol
CID 115808264
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
CID 159704099

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane?
The IUPAC name of 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane (CID 167547358) is 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane.
What is the SMILES notation for 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane?
The canonical SMILES for 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane is CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)C1CCCC1.CC1(C)CCCCC1.CC1C2CCC1CC2.CC1CCC(C)CC1.CC1CCCC(C)C1.CC1CCCC[C@H]1C.CCC1(C)CCCC1.C[C@H]1CC2CCC1C2.
What is the InChIKey of 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane?
The InChIKey is BYOULXIZZURRGU-HYQUFHGTSA-N. The full InChI is InChI=1S/C11H24.C10H22.2C8H14.6C8H16/c1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-6-4-7-2-3-8(6)5-7;1-6-7-2-3-8(6)5-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-8(2)6-4-3-5-7-8;1-7-5-3-4-6-8(7)2;1-7(2)8-5-3-4-6-8;1-3-8(2)6-4-5-7-8/h1-8H3;8H,1-7H3;2*6-8H,2-5H2,1H3;2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3/t;;6-,7?,8?;;;;;7-,8?;;/m..0....1../s1.
What are the key properties of 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane?
1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane has a molecular weight of 1192.29 g/mol, XLogP of 29.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane is sourced from PubChem (CID 167547358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).