2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone

C16H26O — CID 103457998

IUPAC2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone
SMILESCCC1CCCCC1C(=O)C=C1CCCCC1
InChIInChI=1S/C16H26O/c1-2-14-10-6-7-11-15(14)16(17)12-13-8-4-3-5-9-13/h12,14-15H,2-11H2,1H3
InChIKeyGJQBWWRXHWDPHF-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.66
Rot. Bonds3

About 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone

2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone (PubChem CID 103457998) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone
PubChem CID103457998
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone
SMILESCCC1CCCCC1C(=O)C=C1CCCCC1
InChIInChI=1S/C16H26O/c1-2-14-10-6-7-11-15(14)16(17)12-13-8-4-3-5-9-13/h12,14-15H,2-11H2,1H3
InChIKeyGJQBWWRXHWDPHF-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl-(2-ethylcyclohexyl)methanone
CID 103450041
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
carbonic acid;1,2-diethylcyclohexane
CID 70579518
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
1-cyclooctylidenepropan-2-one
CID 12700422
1-cyclohexylidene-3-(dimethylamino)propan-2-one
CID 69155860
(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone
CID 116570195
2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
CID 116558390
1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one
CID 103454049
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
7-amino-1-(2-ethylcyclohexyl)heptan-1-one
CID 116551389

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone?
The IUPAC name of 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone (CID 103457998) is 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone is CCC1CCCCC1C(=O)C=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone?
The InChIKey is GJQBWWRXHWDPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-14-10-6-7-11-15(14)16(17)12-13-8-4-3-5-9-13/h12,14-15H,2-11H2,1H3.
What are the key properties of 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone?
2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone has a molecular weight of 234.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone is sourced from PubChem (CID 103457998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).