(8E)-heptadeca-1,8-diene

C17H32 — CID 5352844

IUPAC(8E)-heptadeca-1,8-diene
SMILESC=CCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-14,16H2,2H3/b17-15+
InChIKeyZCNSOBXQEHNQMJ-BMRADRMJSA-N
MW236.44 g/mol
LogP6.43
Rot. Bonds13

About (8E)-heptadeca-1,8-diene

(8E)-heptadeca-1,8-diene (PubChem CID 5352844) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (8E)-heptadeca-1,8-diene.

Molecular Properties

Compound Name(8E)-heptadeca-1,8-diene
PubChem CID5352844
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(8E)-heptadeca-1,8-diene
SMILESC=CCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-14,16H2,2H3/b17-15+
InChIKeyZCNSOBXQEHNQMJ-BMRADRMJSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.43
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'}

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Frequently Asked Questions

What is the IUPAC name of (8E)-heptadeca-1,8-diene?
The IUPAC name of (8E)-heptadeca-1,8-diene (CID 5352844) is (8E)-heptadeca-1,8-diene.
What is the SMILES notation for (8E)-heptadeca-1,8-diene?
The canonical SMILES for (8E)-heptadeca-1,8-diene is C=CCCCCC/C=C/CCCCCCCC.
What is the InChIKey of (8E)-heptadeca-1,8-diene?
The InChIKey is ZCNSOBXQEHNQMJ-BMRADRMJSA-N. The full InChI is InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-14,16H2,2H3/b17-15+.
What are the key properties of (8E)-heptadeca-1,8-diene?
(8E)-heptadeca-1,8-diene has a molecular weight of 236.44 g/mol, XLogP of 6.43, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-heptadeca-1,8-diene is sourced from PubChem (CID 5352844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).