7,9-dibutyl-9-methylpentadec-7-ene

C24H48 — CID 54505925

IUPAC7,9-dibutyl-9-methylpentadec-7-ene
SMILESCCCCCCC(=CC(C)(CCCC)CCCCCC)CCCC
InChIInChI=1S/C24H48/c1-6-10-14-16-19-23(18-12-8-3)22-24(5,20-13-9-4)21-17-15-11-7-2/h22H,6-21H2,1-5H3
InChIKeyYFRMTOFDUNTMDL-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.24
Rot. Bonds17

About 7,9-dibutyl-9-methylpentadec-7-ene

7,9-dibutyl-9-methylpentadec-7-ene (PubChem CID 54505925) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 7,9-dibutyl-9-methylpentadec-7-ene.

Molecular Properties

Compound Name7,9-dibutyl-9-methylpentadec-7-ene
PubChem CID54505925
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name7,9-dibutyl-9-methylpentadec-7-ene
SMILESCCCCCCC(=CC(C)(CCCC)CCCCCC)CCCC
InChIInChI=1S/C24H48/c1-6-10-14-16-19-23(18-12-8-3)22-24(5,20-13-9-4)21-17-15-11-7-2/h22H,6-21H2,1-5H3
InChIKeyYFRMTOFDUNTMDL-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.24
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 7,9-dibutyl-9-methylpentadec-7-ene?
The IUPAC name of 7,9-dibutyl-9-methylpentadec-7-ene (CID 54505925) is 7,9-dibutyl-9-methylpentadec-7-ene.
What is the SMILES notation for 7,9-dibutyl-9-methylpentadec-7-ene?
The canonical SMILES for 7,9-dibutyl-9-methylpentadec-7-ene is CCCCCCC(=CC(C)(CCCC)CCCCCC)CCCC.
What is the InChIKey of 7,9-dibutyl-9-methylpentadec-7-ene?
The InChIKey is YFRMTOFDUNTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-6-10-14-16-19-23(18-12-8-3)22-24(5,20-13-9-4)21-17-15-11-7-2/h22H,6-21H2,1-5H3.
What are the key properties of 7,9-dibutyl-9-methylpentadec-7-ene?
7,9-dibutyl-9-methylpentadec-7-ene has a molecular weight of 336.65 g/mol, XLogP of 9.24, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibutyl-9-methylpentadec-7-ene is sourced from PubChem (CID 54505925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).