1-(4-butylcyclohexyl)-2-cyclopentylethanone

C17H30O — CID 114969263

IUPAC1-(4-butylcyclohexyl)-2-cyclopentylethanone
SMILESCCCCC1CCC(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C17H30O/c1-2-3-6-14-9-11-16(12-10-14)17(18)13-15-7-4-5-8-15/h14-16H,2-13H2,1H3
InChIKeyOMUPICSZXCADEI-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.13
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-cyclopentylethanone

1-(4-butylcyclohexyl)-2-cyclopentylethanone (PubChem CID 114969263) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-cyclopentylethanone
PubChem CID114969263
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-(4-butylcyclohexyl)-2-cyclopentylethanone
SMILESCCCCC1CCC(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C17H30O/c1-2-3-6-14-9-11-16(12-10-14)17(18)13-15-7-4-5-8-15/h14-16H,2-13H2,1H3
InChIKeyOMUPICSZXCADEI-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-(4-butylcyclohexyl)-2-methoxyethanone
CID 115783287
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
1-(4-octan-2-yloxycyclohexyl)-2-(4-pentylcyclohexyl)ethanone
CID 156679225
1-butyl-4-propylcyclononane
CID 123467552
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
1-butyl-4-methylcyclooctane
CID 123623113
(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one
CID 168962516
carbonyl dichloride;pentylcyclohexane
CID 19977556
1-(4-pentylcyclohexyl)ethanone
CID 13278013
heptylcyclohexane;propan-2-one
CID 143570854

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-cyclopentylethanone?
The IUPAC name of 1-(4-butylcyclohexyl)-2-cyclopentylethanone (CID 114969263) is 1-(4-butylcyclohexyl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-cyclopentylethanone?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-cyclopentylethanone is CCCCC1CCC(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-cyclopentylethanone?
The InChIKey is OMUPICSZXCADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-2-3-6-14-9-11-16(12-10-14)17(18)13-15-7-4-5-8-15/h14-16H,2-13H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-cyclopentylethanone?
1-(4-butylcyclohexyl)-2-cyclopentylethanone has a molecular weight of 250.43 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-cyclopentylethanone is sourced from PubChem (CID 114969263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).