2-pentadecylcyclopentan-1-one

C20H38O — CID 54368552

IUPAC2-pentadecylcyclopentan-1-one
SMILESCCCCCCCCCCCCCCCC1CCCC1=O
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)21/h19H,2-18H2,1H3
InChIKeyURNDNOQNZOGQAJ-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.84
Rot. Bonds14

About 2-pentadecylcyclopentan-1-one

2-pentadecylcyclopentan-1-one (PubChem CID 54368552) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 2-pentadecylcyclopentan-1-one.

Molecular Properties

Compound Name2-pentadecylcyclopentan-1-one
PubChem CID54368552
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name2-pentadecylcyclopentan-1-one
SMILESCCCCCCCCCCCCCCCC1CCCC1=O
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)21/h19H,2-18H2,1H3
InChIKeyURNDNOQNZOGQAJ-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

Muskone
CID 10947
6,10,14-Trimethyl-2-pentadecanone
CID 10408
2-Heptylcyclopentanone
CID 8710
6,10-Dimethylundecan-2-one
CID 95495
2,6,8-Trimethyl-4-nonanone
CID 61057
2-Dodecylcyclobutanone
CID 161875
5-Methyl-2-octanone
CID 42802
2-Hexylcyclopentanone
CID 114454
2-Cyclopentylcyclopentanone
CID 21003
2-Methyl-4-undecanone
CID 246924
2,2,5-Trimethyl-5-pentylcyclopentanone
CID 103402
2-Propanone, 1-cyclopentyl-
CID 136897

Frequently Asked Questions

What is the IUPAC name of 2-pentadecylcyclopentan-1-one?
The IUPAC name of 2-pentadecylcyclopentan-1-one (CID 54368552) is 2-pentadecylcyclopentan-1-one.
What is the SMILES notation for 2-pentadecylcyclopentan-1-one?
The canonical SMILES for 2-pentadecylcyclopentan-1-one is CCCCCCCCCCCCCCCC1CCCC1=O.
What is the InChIKey of 2-pentadecylcyclopentan-1-one?
The InChIKey is URNDNOQNZOGQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)21/h19H,2-18H2,1H3.
What are the key properties of 2-pentadecylcyclopentan-1-one?
2-pentadecylcyclopentan-1-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 2-pentadecylcyclopentan-1-one is sourced from PubChem (CID 54368552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).