7-methylpentadec-1-ene

C16H32 — CID 528458

IUPAC7-methylpentadec-1-ene
SMILESC=CCCCCC(C)CCCCCCCC
InChIInChI=1S/C16H32/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h5,16H,2,4,6-15H2,1,3H3
InChIKeyOFKFVZWHGFWAJF-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.12
Rot. Bonds12

About 7-methylpentadec-1-ene

7-methylpentadec-1-ene (PubChem CID 528458) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 7-methylpentadec-1-ene.

Molecular Properties

Compound Name7-methylpentadec-1-ene
PubChem CID528458
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name7-methylpentadec-1-ene
SMILESC=CCCCCC(C)CCCCCCCC
InChIInChI=1S/C16H32/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h5,16H,2,4,6-15H2,1,3H3
InChIKeyOFKFVZWHGFWAJF-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.12
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-methylpentadec-1-ene?
The IUPAC name of 7-methylpentadec-1-ene (CID 528458) is 7-methylpentadec-1-ene.
What is the SMILES notation for 7-methylpentadec-1-ene?
The canonical SMILES for 7-methylpentadec-1-ene is C=CCCCCC(C)CCCCCCCC.
What is the InChIKey of 7-methylpentadec-1-ene?
The InChIKey is OFKFVZWHGFWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h5,16H,2,4,6-15H2,1,3H3.
What are the key properties of 7-methylpentadec-1-ene?
7-methylpentadec-1-ene has a molecular weight of 224.43 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpentadec-1-ene is sourced from PubChem (CID 528458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).