1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane

C14H26 — CID 142806834

IUPAC1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane
SMILESCC1CCC(C2(C)CCCC2C)CC1
InChIInChI=1S/C14H26/c1-11-6-8-13(9-7-11)14(3)10-4-5-12(14)2/h11-13H,4-10H2,1-3H3
InChIKeyIVYTVIQUSXBPJO-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds1

About 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane

1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane (PubChem CID 142806834) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane
PubChem CID142806834
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane
SMILESCC1CCC(C2(C)CCCC2C)CC1
InChIInChI=1S/C14H26/c1-11-6-8-13(9-7-11)14(3)10-4-5-12(14)2/h11-13H,4-10H2,1-3H3
InChIKeyIVYTVIQUSXBPJO-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane
CID 174842963
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
(5R,8R,9R,10S,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 638018
(5S,8R,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 124896388
(8S,9R,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 57064082
(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452996
(8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 154342396
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 154525596

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane?
The IUPAC name of 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane (CID 142806834) is 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane?
The canonical SMILES for 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane is CC1CCC(C2(C)CCCC2C)CC1.
What is the InChIKey of 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane?
The InChIKey is IVYTVIQUSXBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-11-6-8-13(9-7-11)14(3)10-4-5-12(14)2/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane?
1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane is sourced from PubChem (CID 142806834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).