13-methylhentriacontane

C32H66 — CID 530409

IUPAC13-methylhentriacontane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC
InChIInChI=1S/C32H66/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-32(3)30-28-26-24-22-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3
InChIKeyYABDGBBPSIKJMX-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.59
Rot. Bonds28

About 13-methylhentriacontane

13-methylhentriacontane (PubChem CID 530409) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 13-methylhentriacontane.

Molecular Properties

Compound Name13-methylhentriacontane
PubChem CID530409
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name13-methylhentriacontane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC
InChIInChI=1S/C32H66/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-32(3)30-28-26-24-22-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3
InChIKeyYABDGBBPSIKJMX-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 13-methylhentriacontane?
The IUPAC name of 13-methylhentriacontane (CID 530409) is 13-methylhentriacontane.
What is the SMILES notation for 13-methylhentriacontane?
The canonical SMILES for 13-methylhentriacontane is CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC.
What is the InChIKey of 13-methylhentriacontane?
The InChIKey is YABDGBBPSIKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-32(3)30-28-26-24-22-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3.
What are the key properties of 13-methylhentriacontane?
13-methylhentriacontane has a molecular weight of 450.88 g/mol, XLogP of 12.59, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylhentriacontane is sourced from PubChem (CID 530409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).