[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane

C27H50 — CID 71438405

IUPAC[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
SMILESC1CCC(CCCC(CCCC2CCCCC2)CCC2CCCCC2)CC1
InChIInChI=1S/C27H50/c1-4-12-24(13-5-1)18-10-20-27(23-22-26-16-8-3-9-17-26)21-11-19-25-14-6-2-7-15-25/h24-27H,1-23H2
InChIKeyQPVBAOQHHTZPBA-UHFFFAOYSA-N
MW374.70 g/mol
LogP9.46
Rot. Bonds11

About [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane

[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane (PubChem CID 71438405) has the molecular formula C27H50 and a molecular weight of 374.70 g/mol. Its IUPAC name is [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane.

Molecular Properties

Compound Name[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
PubChem CID71438405
Molecular FormulaC27H50
Molecular Weight374.70 g/mol
Exact Mass374.39
IUPAC Name[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
SMILESC1CCC(CCCC(CCCC2CCCCC2)CCC2CCCCC2)CC1
InChIInChI=1S/C27H50/c1-4-12-24(13-5-1)18-10-20-27(23-22-26-16-8-3-9-17-26)21-11-19-25-14-6-2-7-15-25/h24-27H,1-23H2
InChIKeyQPVBAOQHHTZPBA-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174921978
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CID 144547696
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
3-cyclobutylpropylcyclohexane
CID 54165208
4-methylpentylcyclopentane
CID 523530
[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666
[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
CID 564248
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane
CID 141354867
1,5-dicyclohexylpentan-3-ol
CID 56981010
4-cyclobutylbutane-1,1-diamine
CID 90300630

Frequently Asked Questions

What is the IUPAC name of [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane?
The IUPAC name of [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane (CID 71438405) is [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane.
What is the SMILES notation for [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane?
The canonical SMILES for [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane is C1CCC(CCCC(CCCC2CCCCC2)CCC2CCCCC2)CC1.
What is the InChIKey of [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane?
The InChIKey is QPVBAOQHHTZPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50/c1-4-12-24(13-5-1)18-10-20-27(23-22-26-16-8-3-9-17-26)21-11-19-25-14-6-2-7-15-25/h24-27H,1-23H2.
What are the key properties of [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane?
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane has a molecular weight of 374.70 g/mol, XLogP of 9.46, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane is sourced from PubChem (CID 71438405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).