13-oct-7-enyltriaconta-1,13-diene

C38H72 — CID 123204509

IUPAC13-oct-7-enyltriaconta-1,13-diene
SMILESC=CCCCCCCCCCCC(=CCCCCCCCCCCCCCCCC)CCCCCCC=C
InChIInChI=1S/C38H72/c1-4-7-10-13-16-18-20-21-22-23-24-26-28-31-34-37-38(35-32-29-15-12-9-6-3)36-33-30-27-25-19-17-14-11-8-5-2/h5-6,37H,2-4,7-36H2,1H3
InChIKeyGZSKZNSSMRBTEN-UHFFFAOYSA-N
MW528.99 g/mol
LogP14.40
Rot. Bonds33

About 13-oct-7-enyltriaconta-1,13-diene

13-oct-7-enyltriaconta-1,13-diene (PubChem CID 123204509) has the molecular formula C38H72 and a molecular weight of 528.99 g/mol. Its IUPAC name is 13-oct-7-enyltriaconta-1,13-diene.

Molecular Properties

Compound Name13-oct-7-enyltriaconta-1,13-diene
PubChem CID123204509
Molecular FormulaC38H72
Molecular Weight528.99 g/mol
Exact Mass528.56
IUPAC Name13-oct-7-enyltriaconta-1,13-diene
SMILESC=CCCCCCCCCCCC(=CCCCCCCCCCCCCCCCC)CCCCCCC=C
InChIInChI=1S/C38H72/c1-4-7-10-13-16-18-20-21-22-23-24-26-28-31-34-37-38(35-32-29-15-12-9-6-3)36-33-30-27-25-19-17-14-11-8-5-2/h5-6,37H,2-4,7-36H2,1H3
InChIKeyGZSKZNSSMRBTEN-UHFFFAOYSA-N
XLogP14.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.99
LogP ≤ 514.40
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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Related Compounds

28-hexylpentaconta-1,28-diene
CID 90932256
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
6-but-3-enylundec-5-ene
CID 175604852
7-but-3-enylheptadeca-1,7,16-triene
CID 56610542
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
octadecane;octadec-1-ene
CID 162018238
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of 13-oct-7-enyltriaconta-1,13-diene?
The IUPAC name of 13-oct-7-enyltriaconta-1,13-diene (CID 123204509) is 13-oct-7-enyltriaconta-1,13-diene.
What is the SMILES notation for 13-oct-7-enyltriaconta-1,13-diene?
The canonical SMILES for 13-oct-7-enyltriaconta-1,13-diene is C=CCCCCCCCCCCC(=CCCCCCCCCCCCCCCCC)CCCCCCC=C.
What is the InChIKey of 13-oct-7-enyltriaconta-1,13-diene?
The InChIKey is GZSKZNSSMRBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H72/c1-4-7-10-13-16-18-20-21-22-23-24-26-28-31-34-37-38(35-32-29-15-12-9-6-3)36-33-30-27-25-19-17-14-11-8-5-2/h5-6,37H,2-4,7-36H2,1H3.
What are the key properties of 13-oct-7-enyltriaconta-1,13-diene?
13-oct-7-enyltriaconta-1,13-diene has a molecular weight of 528.99 g/mol, XLogP of 14.40, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oct-7-enyltriaconta-1,13-diene is sourced from PubChem (CID 123204509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).