(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone

C16H28O — CID 65406793

IUPAC(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
SMILESCCC1CCCC(C(=O)C2CCC(CC)C2)C1
InChIInChI=1S/C16H28O/c1-3-12-6-5-7-14(10-12)16(17)15-9-8-13(4-2)11-15/h12-15H,3-11H2,1-2H3
InChIKeyLUNBSKJURIBGPO-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds4

About (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone (PubChem CID 65406793) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
PubChem CID65406793
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
SMILESCCC1CCCC(C(=O)C2CCC(CC)C2)C1
InChIInChI=1S/C16H28O/c1-3-12-6-5-7-14(10-12)16(17)15-9-8-13(4-2)11-15/h12-15H,3-11H2,1-2H3
InChIKeyLUNBSKJURIBGPO-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
CID 116580693
(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114976477
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
3-ethylcyclopentane-1-carbothioamide
CID 65413677
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
CID 114975947

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone (CID 65406793) is (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone is CCC1CCCC(C(=O)C2CCC(CC)C2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone?
The InChIKey is LUNBSKJURIBGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-3-12-6-5-7-14(10-12)16(17)15-9-8-13(4-2)11-15/h12-15H,3-11H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone?
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone has a molecular weight of 236.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone is sourced from PubChem (CID 65406793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).