4-cyclopentylbutylcyclohexane

C15H28 — CID 144547696

IUPAC4-cyclopentylbutylcyclohexane
SMILESC1CCC(CCCCC2CCCC2)CC1
InChIInChI=1S/C15H28/c1-2-8-14(9-3-1)10-4-5-11-15-12-6-7-13-15/h14-15H,1-13H2
InChIKeyXKQSVHLUWKWDOE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.32
Rot. Bonds5

About 4-cyclopentylbutylcyclohexane

4-cyclopentylbutylcyclohexane (PubChem CID 144547696) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 4-cyclopentylbutylcyclohexane.

Molecular Properties

Compound Name4-cyclopentylbutylcyclohexane
PubChem CID144547696
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name4-cyclopentylbutylcyclohexane
SMILESC1CCC(CCCCC2CCCC2)CC1
InChIInChI=1S/C15H28/c1-2-8-14(9-3-1)10-4-5-11-15-12-6-7-13-15/h14-15H,1-13H2
InChIKeyXKQSVHLUWKWDOE-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.32
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

3-cyclohexadecylpropylcyclohexadecane
CID 57270632
3-cyclobutylpropylcyclohexane
CID 54165208
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
4-cycloheptylbutan-1-ol
CID 54439965
5-cyclobutylpentylcyclobutane
CID 173228999
11-cyclohexylundecan-1-ol
CID 18980516
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
6-cyclohexylhexan-1-amine
CID 19875455
octylcyclotetradecane
CID 175261841

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylbutylcyclohexane?
The IUPAC name of 4-cyclopentylbutylcyclohexane (CID 144547696) is 4-cyclopentylbutylcyclohexane.
What is the SMILES notation for 4-cyclopentylbutylcyclohexane?
The canonical SMILES for 4-cyclopentylbutylcyclohexane is C1CCC(CCCCC2CCCC2)CC1.
What is the InChIKey of 4-cyclopentylbutylcyclohexane?
The InChIKey is XKQSVHLUWKWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-8-14(9-3-1)10-4-5-11-15-12-6-7-13-15/h14-15H,1-13H2.
What are the key properties of 4-cyclopentylbutylcyclohexane?
4-cyclopentylbutylcyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylbutylcyclohexane is sourced from PubChem (CID 144547696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).