(10E,13E)-nonadeca-10,13-dien-2-one

C19H34O — CID 10333807

IUPAC(10E,13E)-nonadeca-10,13-dien-2-one
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
InChIKeyNYNXWWRZOOJQQC-ZDVGBALWSA-N
MW278.48 g/mol
LogP6.39
Rot. Bonds14

About (10E,13E)-nonadeca-10,13-dien-2-one

(10E,13E)-nonadeca-10,13-dien-2-one (PubChem CID 10333807) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (10E,13E)-nonadeca-10,13-dien-2-one.

Molecular Properties

Compound Name(10E,13E)-nonadeca-10,13-dien-2-one
PubChem CID10333807
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(10E,13E)-nonadeca-10,13-dien-2-one
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
InChIKeyNYNXWWRZOOJQQC-ZDVGBALWSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
CID 87555668
(E)-dotriacont-23-en-2-one
CID 5365248
(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
henicos-9-en-2-one
CID 91100997
tetratriacont-20-en-2-one
CID 56637991
(8Z,11Z)-pentadeca-8,11-dien-2-one
CID 25172308
(10Z,13Z,16Z)-icosa-10,13,16-trien-2-one
CID 59917255
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557
heptatriaconta-6,28-dien-2-one
CID 549930

Frequently Asked Questions

What is the IUPAC name of (10E,13E)-nonadeca-10,13-dien-2-one?
The IUPAC name of (10E,13E)-nonadeca-10,13-dien-2-one (CID 10333807) is (10E,13E)-nonadeca-10,13-dien-2-one.
What is the SMILES notation for (10E,13E)-nonadeca-10,13-dien-2-one?
The canonical SMILES for (10E,13E)-nonadeca-10,13-dien-2-one is CCCCC/C=C/C/C=C/CCCCCCCC(C)=O.
What is the InChIKey of (10E,13E)-nonadeca-10,13-dien-2-one?
The InChIKey is NYNXWWRZOOJQQC-ZDVGBALWSA-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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+.
What are the key properties of (10E,13E)-nonadeca-10,13-dien-2-one?
(10E,13E)-nonadeca-10,13-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 (10E,13E)-nonadeca-10,13-dien-2-one is sourced from PubChem (CID 10333807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).