4,10-dimethyltriacontane

C32H66 — CID 6430425

IUPAC4,10-dimethyltriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCC
InChIInChI=1S/C32H66/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-32(4)30-26-23-25-28-31(3)27-6-2/h31-32H,5-30H2,1-4H3
InChIKeyNIPDQYCBQMWKIJ-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.44
Rot. Bonds27

About 4,10-dimethyltriacontane

4,10-dimethyltriacontane (PubChem CID 6430425) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 4,10-dimethyltriacontane.

Molecular Properties

Compound Name4,10-dimethyltriacontane
PubChem CID6430425
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name4,10-dimethyltriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCC
InChIInChI=1S/C32H66/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-32(4)30-26-23-25-28-31(3)27-6-2/h31-32H,5-30H2,1-4H3
InChIKeyNIPDQYCBQMWKIJ-UHFFFAOYSA-N
XLogP12.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 512.44
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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Related Compounds

4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,8,14-trimethyltetratriacontane
CID 6431076
4,13-dimethylheptadecane
CID 6430494
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyltriacontane?
The IUPAC name of 4,10-dimethyltriacontane (CID 6430425) is 4,10-dimethyltriacontane.
What is the SMILES notation for 4,10-dimethyltriacontane?
The canonical SMILES for 4,10-dimethyltriacontane is CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCC.
What is the InChIKey of 4,10-dimethyltriacontane?
The InChIKey is NIPDQYCBQMWKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-32(4)30-26-23-25-28-31(3)27-6-2/h31-32H,5-30H2,1-4H3.
What are the key properties of 4,10-dimethyltriacontane?
4,10-dimethyltriacontane has a molecular weight of 450.88 g/mol, XLogP of 12.44, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyltriacontane is sourced from PubChem (CID 6430425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).