1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane

C24H44 — CID 163605877

IUPAC1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
SMILESCCCCCC(C)C1CCC(C2CCCC(C3CCCC3)C2)CC1
InChIInChI=1S/C24H44/c1-3-4-5-9-19(2)20-14-16-22(17-15-20)24-13-8-12-23(18-24)21-10-6-7-11-21/h19-24H,3-18H2,1-2H3
InChIKeyHBSOQPRGZBWLJH-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.01
Rot. Bonds7

About 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane

1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane (PubChem CID 163605877) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
PubChem CID163605877
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
SMILESCCCCCC(C)C1CCC(C2CCCC(C3CCCC3)C2)CC1
InChIInChI=1S/C24H44/c1-3-4-5-9-19(2)20-14-16-22(17-15-20)24-13-8-12-23(18-24)21-10-6-7-11-21/h19-24H,3-18H2,1-2H3
InChIKeyHBSOQPRGZBWLJH-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octan-2-ylcyclopropane
CID 18968125
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hexylhydrazine
CID 105294571
1-methyl-5-(5-methylundecan-2-yl)cyclododecane
CID 123940441
4-heptan-2-ylpiperidine
CID 143122379
ethane;pentan-2-ylcyclohexane
CID 143225886
butane;pentan-2-ylcyclohexane
CID 143682251
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
7-methyl-7-(1-methylcyclodecyl)-3-pentan-2-yl-1,2,3,4,4a,5,6,8,9,9a-decahydrobenzo[7]annulene
CID 123756090
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
7-methyloctan-2-ylcyclohexane
CID 54518526
1-heptan-2-yl-3-propylcyclobutane
CID 123811965

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane?
The IUPAC name of 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane (CID 163605877) is 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane?
The canonical SMILES for 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane is CCCCCC(C)C1CCC(C2CCCC(C3CCCC3)C2)CC1.
What is the InChIKey of 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane?
The InChIKey is HBSOQPRGZBWLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-3-4-5-9-19(2)20-14-16-22(17-15-20)24-13-8-12-23(18-24)21-10-6-7-11-21/h19-24H,3-18H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane?
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane is sourced from PubChem (CID 163605877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).