(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one

C19H32O — CID 90307096

IUPAC(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
SMILESCCCCC/C=C/C=C\C=C\CCCCCCC(C)=O
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-12H,3-6,13-18H2,1-2H3/b8-7+,10-9-,12-11+
InChIKeyPGSXZLQCNLUBGB-LCLZNPETSA-N
MW276.46 g/mol
LogP6.16
Rot. Bonds13

About (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one

(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one (PubChem CID 90307096) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one.

Molecular Properties

Compound Name(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
PubChem CID90307096
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
SMILESCCCCC/C=C/C=C\C=C\CCCCCCC(C)=O
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-12H,3-6,13-18H2,1-2H3/b8-7+,10-9-,12-11+
InChIKeyPGSXZLQCNLUBGB-LCLZNPETSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.16
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
nonadeca-11,13-dien-2-one
CID 72744637
(E)-icos-10-en-2-one
CID 137410632
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
henicos-9-en-2-one
CID 91100997
(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
pentadec-10-en-2-one
CID 71443705

Frequently Asked Questions

What is the IUPAC name of (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one?
The IUPAC name of (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one (CID 90307096) is (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one.
What is the SMILES notation for (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one?
The canonical SMILES for (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one is CCCCC/C=C/C=C\C=C\CCCCCCC(C)=O.
What is the InChIKey of (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one?
The InChIKey is PGSXZLQCNLUBGB-LCLZNPETSA-N. The full InChI is InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-12H,3-6,13-18H2,1-2H3/b8-7+,10-9-,12-11+.
What are the key properties of (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one?
(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one has a molecular weight of 276.46 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11Z,13E)-nonadeca-9,11,13-trien-2-one is sourced from PubChem (CID 90307096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).