(3E,13E)-nonadeca-3,13-diene

C19H36 — CID 141029609

IUPAC(3E,13E)-nonadeca-3,13-diene
SMILESCC/C=C/CCCCCCCC/C=C/CCCCC
InChIInChI=1S/C19H36/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h5,7,12,14H,3-4,6,8-11,13,15-19H2,1-2H3/b7-5+,14-12+
InChIKeyJJHKTMOEFQSVQA-BGUVSGJASA-N
MW264.50 g/mol
LogP7.21
Rot. Bonds14

About (3E,13E)-nonadeca-3,13-diene

(3E,13E)-nonadeca-3,13-diene (PubChem CID 141029609) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is (3E,13E)-nonadeca-3,13-diene.

Molecular Properties

Compound Name(3E,13E)-nonadeca-3,13-diene
PubChem CID141029609
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name(3E,13E)-nonadeca-3,13-diene
SMILESCC/C=C/CCCCCCCC/C=C/CCCCC
InChIInChI=1S/C19H36/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h5,7,12,14H,3-4,6,8-11,13,15-19H2,1-2H3/b7-5+,14-12+
InChIKeyJJHKTMOEFQSVQA-BGUVSGJASA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(E)-non-3-ene
CID 5364445
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
magnesium;(Z)-non-3-ene;dichloride
CID 174157517

Frequently Asked Questions

What is the IUPAC name of (3E,13E)-nonadeca-3,13-diene?
The IUPAC name of (3E,13E)-nonadeca-3,13-diene (CID 141029609) is (3E,13E)-nonadeca-3,13-diene.
What is the SMILES notation for (3E,13E)-nonadeca-3,13-diene?
The canonical SMILES for (3E,13E)-nonadeca-3,13-diene is CC/C=C/CCCCCCCC/C=C/CCCCC.
What is the InChIKey of (3E,13E)-nonadeca-3,13-diene?
The InChIKey is JJHKTMOEFQSVQA-BGUVSGJASA-N. The full InChI is InChI=1S/C19H36/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h5,7,12,14H,3-4,6,8-11,13,15-19H2,1-2H3/b7-5+,14-12+.
What are the key properties of (3E,13E)-nonadeca-3,13-diene?
(3E,13E)-nonadeca-3,13-diene has a molecular weight of 264.50 g/mol, XLogP of 7.21, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,13E)-nonadeca-3,13-diene is sourced from PubChem (CID 141029609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).