(3E,5Z,9Z)-pentadeca-3,5,9-triene

C15H26 — CID 90384035

IUPAC(3E,5Z,9Z)-pentadeca-3,5,9-triene
SMILESCC/C=C/C=C\CC/C=C\CCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5,7,9,11-12,14H,3-4,6,8,10,13,15H2,1-2H3/b7-5+,11-9-,14-12-
InChIKeyMVBQJEXMTLPSHN-CRQVSTMZSA-N
MW206.37 g/mol
LogP5.43
Rot. Bonds9

About (3E,5Z,9Z)-pentadeca-3,5,9-triene

(3E,5Z,9Z)-pentadeca-3,5,9-triene (PubChem CID 90384035) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (3E,5Z,9Z)-pentadeca-3,5,9-triene.

Molecular Properties

Compound Name(3E,5Z,9Z)-pentadeca-3,5,9-triene
PubChem CID90384035
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(3E,5Z,9Z)-pentadeca-3,5,9-triene
SMILESCC/C=C/C=C\CC/C=C\CCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5,7,9,11-12,14H,3-4,6,8,10,13,15H2,1-2H3/b7-5+,11-9-,14-12-
InChIKeyMVBQJEXMTLPSHN-CRQVSTMZSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.43
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

pentacosa-3,9,11,15-tetraene
CID 141068852
pentadeca-3,5,7,9-tetraene
CID 151958393
(E)-non-3-ene
CID 5364445
(22E)-heptatetraconta-22,24-diene
CID 56629131
(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
(E)-octadec-3-ene
CID 5365984
(E)-nonacos-3-ene
CID 22172230
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(Z)-tridec-3-ene
CID 5362711
octacos-3-ene
CID 54171253
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,9Z)-pentadeca-3,5,9-triene?
The IUPAC name of (3E,5Z,9Z)-pentadeca-3,5,9-triene (CID 90384035) is (3E,5Z,9Z)-pentadeca-3,5,9-triene.
What is the SMILES notation for (3E,5Z,9Z)-pentadeca-3,5,9-triene?
The canonical SMILES for (3E,5Z,9Z)-pentadeca-3,5,9-triene is CC/C=C/C=C\CC/C=C\CCCCC.
What is the InChIKey of (3E,5Z,9Z)-pentadeca-3,5,9-triene?
The InChIKey is MVBQJEXMTLPSHN-CRQVSTMZSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5,7,9,11-12,14H,3-4,6,8,10,13,15H2,1-2H3/b7-5+,11-9-,14-12-.
What are the key properties of (3E,5Z,9Z)-pentadeca-3,5,9-triene?
(3E,5Z,9Z)-pentadeca-3,5,9-triene has a molecular weight of 206.37 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,9Z)-pentadeca-3,5,9-triene is sourced from PubChem (CID 90384035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).