nonadeca-11,13-dien-2-one

C19H34O — CID 72744637

IUPACnonadeca-11,13-dien-2-one
SMILESCCCCCC=CC=CCCCCCCCCC(C)=O
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-10H,3-6,11-18H2,1-2H3
InChIKeyHSRMQMRKTMZVBX-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.39
Rot. Bonds14

About nonadeca-11,13-dien-2-one

nonadeca-11,13-dien-2-one (PubChem CID 72744637) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is nonadeca-11,13-dien-2-one.

Molecular Properties

Compound Namenonadeca-11,13-dien-2-one
PubChem CID72744637
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Namenonadeca-11,13-dien-2-one
SMILESCCCCCC=CC=CCCCCCCCCC(C)=O
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-10H,3-6,11-18H2,1-2H3
InChIKeyHSRMQMRKTMZVBX-UHFFFAOYSA-N
XLogP6.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonadeca-9,11-dien-2-one
CID 76564066
(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
CID 90307096
henicos-9-en-2-one
CID 91100997
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(Z)-tricos-16-en-2-one
CID 134866400
(E)-icos-10-en-2-one
CID 137410632
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
pentadec-10-en-2-one
CID 71443705

Frequently Asked Questions

What is the IUPAC name of nonadeca-11,13-dien-2-one?
The IUPAC name of nonadeca-11,13-dien-2-one (CID 72744637) is nonadeca-11,13-dien-2-one.
What is the SMILES notation for nonadeca-11,13-dien-2-one?
The canonical SMILES for nonadeca-11,13-dien-2-one is CCCCCC=CC=CCCCCCCCCC(C)=O.
What is the InChIKey of nonadeca-11,13-dien-2-one?
The InChIKey is HSRMQMRKTMZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-10H,3-6,11-18H2,1-2H3.
What are the key properties of nonadeca-11,13-dien-2-one?
nonadeca-11,13-dien-2-one has a molecular weight of 278.48 g/mol, XLogP of 6.39, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-11,13-dien-2-one is sourced from PubChem (CID 72744637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).