heptadeca-1,16-diene

C17H32 — CID 6429392

IUPACheptadeca-1,16-diene
SMILESC=CCCCCCCCCCCCCCC=C
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4H,1-2,5-17H2
InChIKeyLGYMYODKHKZIEU-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.43
Rot. Bonds14

About heptadeca-1,16-diene

heptadeca-1,16-diene (PubChem CID 6429392) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is heptadeca-1,16-diene.

Molecular Properties

Compound Nameheptadeca-1,16-diene
PubChem CID6429392
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameheptadeca-1,16-diene
SMILESC=CCCCCCCCCCCCCCC=C
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4H,1-2,5-17H2
InChIKeyLGYMYODKHKZIEU-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
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 heptadeca-1,16-diene?
The IUPAC name of heptadeca-1,16-diene (CID 6429392) is heptadeca-1,16-diene.
What is the SMILES notation for heptadeca-1,16-diene?
The canonical SMILES for heptadeca-1,16-diene is C=CCCCCCCCCCCCCCC=C.
What is the InChIKey of heptadeca-1,16-diene?
The InChIKey is LGYMYODKHKZIEU-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/h3-4H,1-2,5-17H2.
What are the key properties of heptadeca-1,16-diene?
heptadeca-1,16-diene has a molecular weight of 236.44 g/mol, XLogP of 6.43, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,16-diene is sourced from PubChem (CID 6429392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).