1-cyclobutyl-5-methyl-2-phenyldecan-1-one

C21H32O — CID 170769487

IUPAC1-cyclobutyl-5-methyl-2-phenyldecan-1-one
SMILESCCCCCC(C)CCC(C(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C21H32O/c1-3-4-6-10-17(2)15-16-20(18-11-7-5-8-12-18)21(22)19-13-9-14-19/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyARDYIESATLJODO-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.14
Rot. Bonds10

About 1-cyclobutyl-5-methyl-2-phenyldecan-1-one

1-cyclobutyl-5-methyl-2-phenyldecan-1-one (PubChem CID 170769487) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-cyclobutyl-5-methyl-2-phenyldecan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-5-methyl-2-phenyldecan-1-one
PubChem CID170769487
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name1-cyclobutyl-5-methyl-2-phenyldecan-1-one
SMILESCCCCCC(C)CCC(C(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C21H32O/c1-3-4-6-10-17(2)15-16-20(18-11-7-5-8-12-18)21(22)19-13-9-14-19/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyARDYIESATLJODO-UHFFFAOYSA-N
XLogP6.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.14
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)-1-cyclobutyl-5-methyl-2-phenyldecan-1-one
CID 170769500
1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one
CID 170769530
7-[(1S,2S)-2-octylcyclopentyl]-2-phenylheptanoic acid
CID 22788984
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
2-phenylheptanamide
CID 67221214
2-phenyloctadecanoate
CID 22742145
ethane;(3S)-3-phenyloctan-2-one;propane
CID 143356286
2-phenyloctadecanoyl chloride
CID 154195260
propan-2-yl 2-phenylheptanoate
CID 11075819
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-methyl-2-phenyldecan-1-one?
The IUPAC name of 1-cyclobutyl-5-methyl-2-phenyldecan-1-one (CID 170769487) is 1-cyclobutyl-5-methyl-2-phenyldecan-1-one.
What is the SMILES notation for 1-cyclobutyl-5-methyl-2-phenyldecan-1-one?
The canonical SMILES for 1-cyclobutyl-5-methyl-2-phenyldecan-1-one is CCCCCC(C)CCC(C(=O)C1CCC1)c1ccccc1.
What is the InChIKey of 1-cyclobutyl-5-methyl-2-phenyldecan-1-one?
The InChIKey is ARDYIESATLJODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-3-4-6-10-17(2)15-16-20(18-11-7-5-8-12-18)21(22)19-13-9-14-19/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of 1-cyclobutyl-5-methyl-2-phenyldecan-1-one?
1-cyclobutyl-5-methyl-2-phenyldecan-1-one has a molecular weight of 300.49 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-methyl-2-phenyldecan-1-one is sourced from PubChem (CID 170769487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).