1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one

C14H24O — CID 130677283

IUPAC1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
SMILESCC(C)(C)C(C)(C)C(=O)C1=CCCCC1
InChIInChI=1S/C14H24O/c1-13(2,3)14(4,5)12(15)11-9-7-6-8-10-11/h9H,6-8,10H2,1-5H3
InChIKeyCQRGHSOJDSPEEW-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds2

About 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one

1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one (PubChem CID 130677283) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
PubChem CID130677283
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
SMILESCC(C)(C)C(C)(C)C(=O)C1=CCCCC1
InChIInChI=1S/C14H24O/c1-13(2,3)14(4,5)12(15)11-9-7-6-8-10-11/h9H,6-8,10H2,1-5H3
InChIKeyCQRGHSOJDSPEEW-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
CID 67914178
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
1-(cycloocten-1-yl)-2-(diethylamino)-2-methylbutan-1-one
CID 106651982
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene
CID 10997998
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959
1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
CID 106651997
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one (CID 130677283) is 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one is CC(C)(C)C(C)(C)C(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one?
The InChIKey is CQRGHSOJDSPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)14(4,5)12(15)11-9-7-6-8-10-11/h9H,6-8,10H2,1-5H3.
What are the key properties of 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one?
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one is sourced from PubChem (CID 130677283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).