(5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one

C19H35NO — CID 58490278

IUPAC(5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one
SMILESCCN(CC)CCC/C(C)=C\CC/C(C)=C\CCC(C)=O
InChIInChI=1S/C19H35NO/c1-6-20(7-2)16-10-14-18(4)12-8-11-17(3)13-9-15-19(5)21/h12-13H,6-11,14-16H2,1-5H3/b17-13-,18-12-
InChIKeyYRAOZRGKLSMXPD-LTSGFECQSA-N
MW293.50 g/mol
LogP5.15
Rot. Bonds12

About (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one

(5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one (PubChem CID 58490278) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one.

Molecular Properties

Compound Name(5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one
PubChem CID58490278
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one
SMILESCCN(CC)CCC/C(C)=C\CC/C(C)=C\CCC(C)=O
InChIInChI=1S/C19H35NO/c1-6-20(7-2)16-10-14-18(4)12-8-11-17(3)13-9-15-19(5)21/h12-13H,6-11,14-16H2,1-5H3/b17-13-,18-12-
InChIKeyYRAOZRGKLSMXPD-LTSGFECQSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one?
The IUPAC name of (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one (CID 58490278) is (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one.
What is the SMILES notation for (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one?
The canonical SMILES for (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one is CCN(CC)CCC/C(C)=C\CC/C(C)=C\CCC(C)=O.
What is the InChIKey of (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one?
The InChIKey is YRAOZRGKLSMXPD-LTSGFECQSA-N. The full InChI is InChI=1S/C19H35NO/c1-6-20(7-2)16-10-14-18(4)12-8-11-17(3)13-9-15-19(5)21/h12-13H,6-11,14-16H2,1-5H3/b17-13-,18-12-.
What are the key properties of (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one?
(5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one has a molecular weight of 293.50 g/mol, XLogP of 5.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-13-(diethylamino)-6,10-dimethyltrideca-5,9-dien-2-one is sourced from PubChem (CID 58490278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).