1-butyl-4-(2-cyclopentylethyl)cyclohexane

C17H32 — CID 157379859

IUPAC1-butyl-4-(2-cyclopentylethyl)cyclohexane
SMILESCCCCC1CCC(CCC2CCCC2)CC1
InChIInChI=1S/C17H32/c1-2-3-6-16-10-13-17(14-11-16)12-9-15-7-4-5-8-15/h15-17H,2-14H2,1H3
InChIKeyBKTDTSMKPYZYMP-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.95
Rot. Bonds6

About 1-butyl-4-(2-cyclopentylethyl)cyclohexane

1-butyl-4-(2-cyclopentylethyl)cyclohexane (PubChem CID 157379859) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-butyl-4-(2-cyclopentylethyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-4-(2-cyclopentylethyl)cyclohexane
PubChem CID157379859
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-butyl-4-(2-cyclopentylethyl)cyclohexane
SMILESCCCCC1CCC(CCC2CCCC2)CC1
InChIInChI=1S/C17H32/c1-2-3-6-16-10-13-17(14-11-16)12-9-15-7-4-5-8-15/h15-17H,2-14H2,1H3
InChIKeyBKTDTSMKPYZYMP-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-propylcyclononane
CID 123467552
1-butyl-4-methylcyclooctane
CID 123623113
butylcyclohexane;N-methylmethanamine
CID 174941558
CID 171376493
CID 171376493
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
ethene;pentylcyclopentane
CID 145442606
tetradecylcyclododecane
CID 169026037
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-cyclopentylethyl)cyclohexane?
The IUPAC name of 1-butyl-4-(2-cyclopentylethyl)cyclohexane (CID 157379859) is 1-butyl-4-(2-cyclopentylethyl)cyclohexane.
What is the SMILES notation for 1-butyl-4-(2-cyclopentylethyl)cyclohexane?
The canonical SMILES for 1-butyl-4-(2-cyclopentylethyl)cyclohexane is CCCCC1CCC(CCC2CCCC2)CC1.
What is the InChIKey of 1-butyl-4-(2-cyclopentylethyl)cyclohexane?
The InChIKey is BKTDTSMKPYZYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-2-3-6-16-10-13-17(14-11-16)12-9-15-7-4-5-8-15/h15-17H,2-14H2,1H3.
What are the key properties of 1-butyl-4-(2-cyclopentylethyl)cyclohexane?
1-butyl-4-(2-cyclopentylethyl)cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-cyclopentylethyl)cyclohexane is sourced from PubChem (CID 157379859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).