1-cyclohexyl-4-nonylcyclohexane

C21H40 — CID 56627592

IUPAC1-cyclohexyl-4-nonylcyclohexane
SMILESCCCCCCCCCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C21H40/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h19-21H,2-18H2,1H3
InChIKeyAHLZJPAUXKGHQI-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.51
Rot. Bonds9

About 1-cyclohexyl-4-nonylcyclohexane

1-cyclohexyl-4-nonylcyclohexane (PubChem CID 56627592) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-cyclohexyl-4-nonylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-nonylcyclohexane
PubChem CID56627592
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-cyclohexyl-4-nonylcyclohexane
SMILESCCCCCCCCCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C21H40/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h19-21H,2-18H2,1H3
InChIKeyAHLZJPAUXKGHQI-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.51
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

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-nonylcyclohexane?
The IUPAC name of 1-cyclohexyl-4-nonylcyclohexane (CID 56627592) is 1-cyclohexyl-4-nonylcyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-nonylcyclohexane?
The canonical SMILES for 1-cyclohexyl-4-nonylcyclohexane is CCCCCCCCCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-nonylcyclohexane?
The InChIKey is AHLZJPAUXKGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h19-21H,2-18H2,1H3.
What are the key properties of 1-cyclohexyl-4-nonylcyclohexane?
1-cyclohexyl-4-nonylcyclohexane has a molecular weight of 292.55 g/mol, XLogP of 7.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-nonylcyclohexane is sourced from PubChem (CID 56627592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).