3-methyltritriacontane

C34H70 — CID 518892

IUPAC3-methyltritriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)5-2/h34H,4-33H2,1-3H3
InChIKeyGGSUDEKGRQXJSB-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.37
Rot. Bonds30

About 3-methyltritriacontane

3-methyltritriacontane (PubChem CID 518892) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 3-methyltritriacontane.

Molecular Properties

Compound Name3-methyltritriacontane
PubChem CID518892
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name3-methyltritriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)5-2/h34H,4-33H2,1-3H3
InChIKeyGGSUDEKGRQXJSB-UHFFFAOYSA-N
XLogP13.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methyltritriacontane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyltritriacontane?
The IUPAC name of 3-methyltritriacontane (CID 518892) is 3-methyltritriacontane.
What is the SMILES notation for 3-methyltritriacontane?
The canonical SMILES for 3-methyltritriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC.
What is the InChIKey of 3-methyltritriacontane?
The InChIKey is GGSUDEKGRQXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)5-2/h34H,4-33H2,1-3H3.
What are the key properties of 3-methyltritriacontane?
3-methyltritriacontane has a molecular weight of 478.93 g/mol, XLogP of 13.37, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltritriacontane is sourced from PubChem (CID 518892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).