pentadec-10-en-2-one

C15H28O — CID 71443705

IUPACpentadec-10-en-2-one
SMILESCCCCC=CCCCCCCCC(C)=O
InChIInChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h6-7H,3-5,8-14H2,1-2H3
InChIKeyPBEJZRQSUJBPJR-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.05
Rot. Bonds11

About pentadec-10-en-2-one

pentadec-10-en-2-one (PubChem CID 71443705) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is pentadec-10-en-2-one.

Molecular Properties

Compound Namepentadec-10-en-2-one
PubChem CID71443705
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Namepentadec-10-en-2-one
SMILESCCCCC=CCCCCCCCC(C)=O
InChIInChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h6-7H,3-5,8-14H2,1-2H3
InChIKeyPBEJZRQSUJBPJR-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodec-7-en-2-one
CID 123882998
(E)-dotriacont-23-en-2-one
CID 5365248
henicos-9-en-2-one
CID 91100997
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-tricos-16-en-2-one
CID 134866400
tetratriacont-20-en-2-one
CID 56637991
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557
heptatriaconta-6,28-dien-2-one
CID 549930
hexadec-8-ene-2,15-dione
CID 91429732
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807

Frequently Asked Questions

What is the IUPAC name of pentadec-10-en-2-one?
The IUPAC name of pentadec-10-en-2-one (CID 71443705) is pentadec-10-en-2-one.
What is the SMILES notation for pentadec-10-en-2-one?
The canonical SMILES for pentadec-10-en-2-one is CCCCC=CCCCCCCCC(C)=O.
What is the InChIKey of pentadec-10-en-2-one?
The InChIKey is PBEJZRQSUJBPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h6-7H,3-5,8-14H2,1-2H3.
What are the key properties of pentadec-10-en-2-one?
pentadec-10-en-2-one has a molecular weight of 224.39 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-10-en-2-one is sourced from PubChem (CID 71443705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).