1-cyclopentylpentadecan-3-one

C20H38O — CID 114969105

IUPAC1-cyclopentylpentadecan-3-one
SMILESCCCCCCCCCCCCC(=O)CCC1CCCC1
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-16-20(21)18-17-19-14-12-13-15-19/h19H,2-18H2,1H3
InChIKeyRGBUMVOZPQLZBN-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.84
Rot. Bonds14

About 1-cyclopentylpentadecan-3-one

1-cyclopentylpentadecan-3-one (PubChem CID 114969105) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-cyclopentylpentadecan-3-one.

Molecular Properties

Compound Name1-cyclopentylpentadecan-3-one
PubChem CID114969105
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-cyclopentylpentadecan-3-one
SMILESCCCCCCCCCCCCC(=O)CCC1CCCC1
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-16-20(21)18-17-19-14-12-13-15-19/h19H,2-18H2,1H3
InChIKeyRGBUMVOZPQLZBN-UHFFFAOYSA-N
XLogP6.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.84
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

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1-cyclopentylheptadecan-2-one
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CID 10856142
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CID 22768059
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1-(oxan-4-yl)dodecan-5-one
CID 114192976
pentacosan-7-one
CID 54551687
heptylcyclohexane;propan-2-one
CID 143570854
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CID 139254510
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CID 12913434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpentadecan-3-one?
The IUPAC name of 1-cyclopentylpentadecan-3-one (CID 114969105) is 1-cyclopentylpentadecan-3-one.
What is the SMILES notation for 1-cyclopentylpentadecan-3-one?
The canonical SMILES for 1-cyclopentylpentadecan-3-one is CCCCCCCCCCCCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentylpentadecan-3-one?
The InChIKey is RGBUMVOZPQLZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-16-20(21)18-17-19-14-12-13-15-19/h19H,2-18H2,1H3.
What are the key properties of 1-cyclopentylpentadecan-3-one?
1-cyclopentylpentadecan-3-one has a molecular weight of 294.52 g/mol, XLogP of 6.84, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpentadecan-3-one is sourced from PubChem (CID 114969105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).