(5Z,8Z,11Z)-heptadeca-5,8,11-triene

C17H30 — CID 56936135

IUPAC(5Z,8Z,11Z)-heptadeca-5,8,11-triene
SMILESCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3/b11-9-,14-12-,17-15-
InChIKeyPUHVOPAPFZCQRL-XTUUZXLNSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds11

About (5Z,8Z,11Z)-heptadeca-5,8,11-triene

(5Z,8Z,11Z)-heptadeca-5,8,11-triene (PubChem CID 56936135) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (5Z,8Z,11Z)-heptadeca-5,8,11-triene.

Molecular Properties

Compound Name(5Z,8Z,11Z)-heptadeca-5,8,11-triene
PubChem CID56936135
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(5Z,8Z,11Z)-heptadeca-5,8,11-triene
SMILESCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3/b11-9-,14-12-,17-15-
InChIKeyPUHVOPAPFZCQRL-XTUUZXLNSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.21
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z)-heptadeca-5,8,11-triene?
The IUPAC name of (5Z,8Z,11Z)-heptadeca-5,8,11-triene (CID 56936135) is (5Z,8Z,11Z)-heptadeca-5,8,11-triene.
What is the SMILES notation for (5Z,8Z,11Z)-heptadeca-5,8,11-triene?
The canonical SMILES for (5Z,8Z,11Z)-heptadeca-5,8,11-triene is CCCC/C=C\C/C=C\C/C=C\CCCCC.
What is the InChIKey of (5Z,8Z,11Z)-heptadeca-5,8,11-triene?
The InChIKey is PUHVOPAPFZCQRL-XTUUZXLNSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3/b11-9-,14-12-,17-15-.
What are the key properties of (5Z,8Z,11Z)-heptadeca-5,8,11-triene?
(5Z,8Z,11Z)-heptadeca-5,8,11-triene has a molecular weight of 234.43 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z)-heptadeca-5,8,11-triene is sourced from PubChem (CID 56936135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).