heptadeca-5,9-diene

C17H32 — CID 123203573

IUPACheptadeca-5,9-diene
SMILESCCCCC=CCCC=CCCCCCCC
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11,16-17H,3-8,10,12-15H2,1-2H3
InChIKeyPLHXUYLDQGHDQR-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.43
Rot. Bonds12

About heptadeca-5,9-diene

heptadeca-5,9-diene (PubChem CID 123203573) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is heptadeca-5,9-diene.

Molecular Properties

Compound Nameheptadeca-5,9-diene
PubChem CID123203573
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameheptadeca-5,9-diene
SMILESCCCCC=CCCC=CCCCCCCC
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11,16-17H,3-8,10,12-15H2,1-2H3
InChIKeyPLHXUYLDQGHDQR-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
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'}

Analyze heptadeca-5,9-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E,9E)-nonacosa-5,9-diene
CID 56936191
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of heptadeca-5,9-diene?
The IUPAC name of heptadeca-5,9-diene (CID 123203573) is heptadeca-5,9-diene.
What is the SMILES notation for heptadeca-5,9-diene?
The canonical SMILES for heptadeca-5,9-diene is CCCCC=CCCC=CCCCCCCC.
What is the InChIKey of heptadeca-5,9-diene?
The InChIKey is PLHXUYLDQGHDQR-UHFFFAOYSA-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/h9,11,16-17H,3-8,10,12-15H2,1-2H3.
What are the key properties of heptadeca-5,9-diene?
heptadeca-5,9-diene has a molecular weight of 236.44 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-5,9-diene is sourced from PubChem (CID 123203573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).