2-undecylcyclopentan-1-one

C16H30O — CID 10857543

IUPAC2-undecylcyclopentan-1-one
SMILESCCCCCCCCCCCC1CCCC1=O
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(15)17/h15H,2-14H2,1H3
InChIKeyWUSDCUQUTPFIDV-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.28
Rot. Bonds10

About 2-undecylcyclopentan-1-one

2-undecylcyclopentan-1-one (PubChem CID 10857543) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-undecylcyclopentan-1-one.

Molecular Properties

Compound Name2-undecylcyclopentan-1-one
PubChem CID10857543
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-undecylcyclopentan-1-one
SMILESCCCCCCCCCCCC1CCCC1=O
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(15)17/h15H,2-14H2,1H3
InChIKeyWUSDCUQUTPFIDV-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.28
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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Frequently Asked Questions

What is the IUPAC name of 2-undecylcyclopentan-1-one?
The IUPAC name of 2-undecylcyclopentan-1-one (CID 10857543) is 2-undecylcyclopentan-1-one.
What is the SMILES notation for 2-undecylcyclopentan-1-one?
The canonical SMILES for 2-undecylcyclopentan-1-one is CCCCCCCCCCCC1CCCC1=O.
What is the InChIKey of 2-undecylcyclopentan-1-one?
The InChIKey is WUSDCUQUTPFIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(15)17/h15H,2-14H2,1H3.
What are the key properties of 2-undecylcyclopentan-1-one?
2-undecylcyclopentan-1-one has a molecular weight of 238.41 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylcyclopentan-1-one is sourced from PubChem (CID 10857543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).