1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane

C21H38 — CID 123393591

IUPAC1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
SMILESCC1CCCCC1C1CCC(CCCC2CCCCC2)C1
InChIInChI=1S/C21H38/c1-17-8-5-6-13-21(17)20-15-14-19(16-20)12-7-11-18-9-3-2-4-10-18/h17-21H,2-16H2,1H3
InChIKeyUEMJXDJTFPNHAQ-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.98
Rot. Bonds5

About 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane

1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane (PubChem CID 123393591) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane.

Molecular Properties

Compound Name1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
PubChem CID123393591
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
SMILESCC1CCCCC1C1CCC(CCCC2CCCCC2)C1
InChIInChI=1S/C21H38/c1-17-8-5-6-13-21(17)20-15-14-19(16-20)12-7-11-18-9-3-2-4-10-18/h17-21H,2-16H2,1H3
InChIKeyUEMJXDJTFPNHAQ-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140848336
butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
CID 160507844
[3-(2-methylcyclopentyl)cycloheptyl]methanethiol
CID 163894608
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54058077
3-cyclobutylpropylcyclohexane
CID 54165208
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431
(2R,7R)-2,7-dibutyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54101502
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
4-cyclopentylbutylcyclohexane
CID 144547696
2,7-dipentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 13412906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane?
The IUPAC name of 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane (CID 123393591) is 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane.
What is the SMILES notation for 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane?
The canonical SMILES for 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane is CC1CCCCC1C1CCC(CCCC2CCCCC2)C1.
What is the InChIKey of 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane?
The InChIKey is UEMJXDJTFPNHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-17-8-5-6-13-21(17)20-15-14-19(16-20)12-7-11-18-9-3-2-4-10-18/h17-21H,2-16H2,1H3.
What are the key properties of 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane?
1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane has a molecular weight of 290.54 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane is sourced from PubChem (CID 123393591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).