(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C18H32O — CID 114976433

IUPAC(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCCC1CCCC(C(=O)C2(CC(C)C)CCCC2)C1
InChIInChI=1S/C18H32O/c1-4-15-8-7-9-16(12-15)17(19)18(13-14(2)3)10-5-6-11-18/h14-16H,4-13H2,1-3H3
InChIKeyZMNGJRQCJSVVGF-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.38
Rot. Bonds5

About (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 114976433) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID114976433
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCCC1CCCC(C(=O)C2(CC(C)C)CCCC2)C1
InChIInChI=1S/C18H32O/c1-4-15-8-7-9-16(12-15)17(19)18(13-14(2)3)10-5-6-11-18/h14-16H,4-13H2,1-3H3
InChIKeyZMNGJRQCJSVVGF-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
CID 116601132
(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114967627
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
1-[3-(2-methylpropyl)cyclohexyl]ethanone
CID 107430523
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
CID 116600979
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
1-(3-ethylcyclohexyl)ethanethione
CID 175971098

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 114976433) is (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone is CCC1CCCC(C(=O)C2(CC(C)C)CCCC2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is ZMNGJRQCJSVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-4-15-8-7-9-16(12-15)17(19)18(13-14(2)3)10-5-6-11-18/h14-16H,4-13H2,1-3H3.
What are the key properties of (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 264.45 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 114976433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).