(2S)-2-decyl-2-methylcyclohexan-1-one

C17H32O — CID 102124069

IUPAC(2S)-2-decyl-2-methylcyclohexan-1-one
SMILESCCCCCCCCCC[C@@]1(C)CCCCC1=O
InChIInChI=1S/C17H32O/c1-3-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16(17)18/h3-15H2,1-2H3/t17-/m0/s1
InChIKeyYOYIDYGWULCXHC-KRWDZBQOSA-N
MW252.44 g/mol
LogP5.67
Rot. Bonds9

About (2S)-2-decyl-2-methylcyclohexan-1-one

(2S)-2-decyl-2-methylcyclohexan-1-one (PubChem CID 102124069) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (2S)-2-decyl-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-decyl-2-methylcyclohexan-1-one
PubChem CID102124069
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(2S)-2-decyl-2-methylcyclohexan-1-one
SMILESCCCCCCCCCC[C@@]1(C)CCCCC1=O
InChIInChI=1S/C17H32O/c1-3-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16(17)18/h3-15H2,1-2H3/t17-/m0/s1
InChIKeyYOYIDYGWULCXHC-KRWDZBQOSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
2-hydroxy-2-pentylcycloheptan-1-one
CID 12920406
1-dodecyl-2-oxocyclohexane-1-carbonitrile
CID 65395030
2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
CID 13308219
2-hexyl-2,5,5-trimethylcyclopentan-1-one
CID 23346843
2-octyl-2-(2-oxocycloheptyl)cycloheptan-1-one
CID 70469533
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068
2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
CID 105437255
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
1-nonyl-2-oxocyclopentane-1-carbonitrile
CID 65392753
2,3-dimethyl-2-octylcyclohexan-1-one
CID 66609524
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-decyl-2-methylcyclohexan-1-one?
The IUPAC name of (2S)-2-decyl-2-methylcyclohexan-1-one (CID 102124069) is (2S)-2-decyl-2-methylcyclohexan-1-one.
What is the SMILES notation for (2S)-2-decyl-2-methylcyclohexan-1-one?
The canonical SMILES for (2S)-2-decyl-2-methylcyclohexan-1-one is CCCCCCCCCC[C@@]1(C)CCCCC1=O.
What is the InChIKey of (2S)-2-decyl-2-methylcyclohexan-1-one?
The InChIKey is YOYIDYGWULCXHC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H32O/c1-3-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16(17)18/h3-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-decyl-2-methylcyclohexan-1-one?
(2S)-2-decyl-2-methylcyclohexan-1-one has a molecular weight of 252.44 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-decyl-2-methylcyclohexan-1-one is sourced from PubChem (CID 102124069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).