7-but-3-enylheptadeca-1,7,16-triene

C21H36 — CID 56610542

IUPAC7-but-3-enylheptadeca-1,7,16-triene
SMILESC=CCCCCCCCC=C(CCC=C)CCCCC=C
InChIInChI=1S/C21H36/c1-4-7-10-12-13-14-15-17-20-21(18-9-6-3)19-16-11-8-5-2/h4-6,20H,1-3,7-19H2
InChIKeyIRAOJBOZEFECGQ-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.54
Rot. Bonds16

About 7-but-3-enylheptadeca-1,7,16-triene

7-but-3-enylheptadeca-1,7,16-triene (PubChem CID 56610542) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 7-but-3-enylheptadeca-1,7,16-triene.

Molecular Properties

Compound Name7-but-3-enylheptadeca-1,7,16-triene
PubChem CID56610542
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name7-but-3-enylheptadeca-1,7,16-triene
SMILESC=CCCCCCCCC=C(CCC=C)CCCCC=C
InChIInChI=1S/C21H36/c1-4-7-10-12-13-14-15-17-20-21(18-9-6-3)19-16-11-8-5-2/h4-6,20H,1-3,7-19H2
InChIKeyIRAOJBOZEFECGQ-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.54
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 7-but-3-enylheptadeca-1,7,16-triene 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

13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
6-but-3-enylundec-5-ene
CID 175604852
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
(5Z)-5-nonylidenenonadec-18-enal
CID 87998044
4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene
CID 173470691
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
9-methylideneicosa-1,19-diene
CID 173334659
10-(8-amino-8-oxooctyl)nonadec-9-enediamide
CID 54259378
pentadec-14-enoyl bromide
CID 155164033

Frequently Asked Questions

What is the IUPAC name of 7-but-3-enylheptadeca-1,7,16-triene?
The IUPAC name of 7-but-3-enylheptadeca-1,7,16-triene (CID 56610542) is 7-but-3-enylheptadeca-1,7,16-triene.
What is the SMILES notation for 7-but-3-enylheptadeca-1,7,16-triene?
The canonical SMILES for 7-but-3-enylheptadeca-1,7,16-triene is C=CCCCCCCCC=C(CCC=C)CCCCC=C.
What is the InChIKey of 7-but-3-enylheptadeca-1,7,16-triene?
The InChIKey is IRAOJBOZEFECGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-4-7-10-12-13-14-15-17-20-21(18-9-6-3)19-16-11-8-5-2/h4-6,20H,1-3,7-19H2.
What are the key properties of 7-but-3-enylheptadeca-1,7,16-triene?
7-but-3-enylheptadeca-1,7,16-triene has a molecular weight of 288.52 g/mol, XLogP of 7.54, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enylheptadeca-1,7,16-triene is sourced from PubChem (CID 56610542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).