1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene

C16H32O — CID 143362777

IUPAC1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
SMILESC=C.CC.CC(C)C(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H22O.C2H6.C2H4/c1-9(2)10(3)12(13)11-7-5-4-6-8-11;2*1-2/h9-11H,4-8H2,1-3H3;1-2H3;1-2H2
InChIKeyNXRFYWOIWLZNDF-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.26
Rot. Bonds3

About 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene

1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene (PubChem CID 143362777) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene.

Molecular Properties

Compound Name1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
PubChem CID143362777
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
SMILESC=C.CC.CC(C)C(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H22O.C2H6.C2H4/c1-9(2)10(3)12(13)11-7-5-4-6-8-11;2*1-2/h9-11H,4-8H2,1-3H3;1-2H3;1-2H2
InChIKeyNXRFYWOIWLZNDF-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-cyclopentyl-2-methylbutan-1-one
CID 116612102
2,3-dimethyl-1-(3-methylcyclohexyl)butan-1-one
CID 114976325
3-cyclohexyl-2-methyl-3-oxopropanal;ethane
CID 145129838
(2S)-2-amino-1-cyclopentyl-3-methylbutan-1-one
CID 174421994
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923369
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
2,2-dichloro-1-cycloheptylethanone
CID 45081064
1-cyclohexyl-2,2-bis(sulfanyl)ethanone
CID 87477865

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene?
The IUPAC name of 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene (CID 143362777) is 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene.
What is the SMILES notation for 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene?
The canonical SMILES for 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene is C=C.CC.CC(C)C(C)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene?
The InChIKey is NXRFYWOIWLZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C2H6.C2H4/c1-9(2)10(3)12(13)11-7-5-4-6-8-11;2*1-2/h9-11H,4-8H2,1-3H3;1-2H3;1-2H2.
What are the key properties of 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene?
1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene has a molecular weight of 240.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene is sourced from PubChem (CID 143362777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).