(3E,5E)-heptadeca-1,3,5-triene

C17H30 — CID 19377911

IUPAC(3E,5E)-heptadeca-1,3,5-triene
SMILESC=C/C=C/C=C/CCCCCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10,12-17H2,2H3/b7-5+,11-9+
InChIKeyDQKNHNPHGVWPJF-JEGFTUTRSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds12

About (3E,5E)-heptadeca-1,3,5-triene

(3E,5E)-heptadeca-1,3,5-triene (PubChem CID 19377911) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (3E,5E)-heptadeca-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-heptadeca-1,3,5-triene
PubChem CID19377911
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(3E,5E)-heptadeca-1,3,5-triene
SMILESC=C/C=C/C=C/CCCCCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10,12-17H2,2H3/b7-5+,11-9+
InChIKeyDQKNHNPHGVWPJF-JEGFTUTRSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-heptadeca-1,3,5-triene?
The IUPAC name of (3E,5E)-heptadeca-1,3,5-triene (CID 19377911) is (3E,5E)-heptadeca-1,3,5-triene.
What is the SMILES notation for (3E,5E)-heptadeca-1,3,5-triene?
The canonical SMILES for (3E,5E)-heptadeca-1,3,5-triene is C=C/C=C/C=C/CCCCCCCCCCC.
What is the InChIKey of (3E,5E)-heptadeca-1,3,5-triene?
The InChIKey is DQKNHNPHGVWPJF-JEGFTUTRSA-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/h3,5,7,9,11H,1,4,6,8,10,12-17H2,2H3/b7-5+,11-9+.
What are the key properties of (3E,5E)-heptadeca-1,3,5-triene?
(3E,5E)-heptadeca-1,3,5-triene has a molecular weight of 234.43 g/mol, XLogP of 6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-heptadeca-1,3,5-triene is sourced from PubChem (CID 19377911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).