3-methylhentriacontane

C32H66 — CID 521265

IUPAC3-methylhentriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C32H66/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h32H,4-31H2,1-3H3
InChIKeyFYHMQCYBOCSFQS-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.59
Rot. Bonds28

About 3-methylhentriacontane

3-methylhentriacontane (PubChem CID 521265) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 3-methylhentriacontane.

Molecular Properties

Compound Name3-methylhentriacontane
PubChem CID521265
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name3-methylhentriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C32H66/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h32H,4-31H2,1-3H3
InChIKeyFYHMQCYBOCSFQS-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 3-methylhentriacontane?
The IUPAC name of 3-methylhentriacontane (CID 521265) is 3-methylhentriacontane.
What is the SMILES notation for 3-methylhentriacontane?
The canonical SMILES for 3-methylhentriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC.
What is the InChIKey of 3-methylhentriacontane?
The InChIKey is FYHMQCYBOCSFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h32H,4-31H2,1-3H3.
What are the key properties of 3-methylhentriacontane?
3-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 3-methylhentriacontane is sourced from PubChem (CID 521265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).