2,6-dimethyltriacontane

C32H66 — CID 526581

IUPAC2,6-dimethyltriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)C
InChIInChI=1S/C32H66/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(4)30-27-28-31(2)3/h31-32H,5-30H2,1-4H3
InChIKeyVFHOLBVXTLSBSF-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.44
Rot. Bonds27

About 2,6-dimethyltriacontane

2,6-dimethyltriacontane (PubChem CID 526581) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 2,6-dimethyltriacontane.

Molecular Properties

Compound Name2,6-dimethyltriacontane
PubChem CID526581
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name2,6-dimethyltriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)C
InChIInChI=1S/C32H66/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(4)30-27-28-31(2)3/h31-32H,5-30H2,1-4H3
InChIKeyVFHOLBVXTLSBSF-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

2,6-dimethylicosane
CID 54262109
2,6,10-trimethyldocosane
CID 175986851
2,6-dimethyltridecane
CID 524061
2,8-dimethylhexacosane
CID 91748840
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,15,18-trimethylhentriacontane
CID 90944921
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
15,19-dimethylpentatriacontane
CID 521781

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyltriacontane?
The IUPAC name of 2,6-dimethyltriacontane (CID 526581) is 2,6-dimethyltriacontane.
What is the SMILES notation for 2,6-dimethyltriacontane?
The canonical SMILES for 2,6-dimethyltriacontane is CCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)C.
What is the InChIKey of 2,6-dimethyltriacontane?
The InChIKey is VFHOLBVXTLSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(4)30-27-28-31(2)3/h31-32H,5-30H2,1-4H3.
What are the key properties of 2,6-dimethyltriacontane?
2,6-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 2,6-dimethyltriacontane is sourced from PubChem (CID 526581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).