1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one

C14H24O — CID 106655769

IUPAC1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24O/c1-11(2)12(3)14(15)13-9-7-5-4-6-8-10-13/h9,11-12H,4-8,10H2,1-3H3
InChIKeyBSPFMWXWEFXDHQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds3

About 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one

1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one (PubChem CID 106655769) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
PubChem CID106655769
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24O/c1-11(2)12(3)14(15)13-9-7-5-4-6-8-10-13/h9,11-12H,4-8,10H2,1-3H3
InChIKeyBSPFMWXWEFXDHQ-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309405
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
cycloheptene-1-carboxamide
CID 22261654
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
CID 106655363
methyl cyclododecene-1-carboxylate
CID 54564642
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one?
The IUPAC name of 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one (CID 106655769) is 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one?
The canonical SMILES for 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one is CC(C)C(C)C(=O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one?
The InChIKey is BSPFMWXWEFXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)12(3)14(15)13-9-7-5-4-6-8-10-13/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one?
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one is sourced from PubChem (CID 106655769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).