10,20-dimethyltriacontane

C32H66 — CID 91752048

IUPAC10,20-dimethyltriacontane
SMILESCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCC
InChIInChI=1S/C32H66/c1-5-7-9-11-13-16-20-24-28-32(4)30-26-22-18-14-17-21-25-29-31(3)27-23-19-15-12-10-8-6-2/h31-32H,5-30H2,1-4H3
InChIKeyIINBCGOGBHXQNE-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.44
Rot. Bonds27

About 10,20-dimethyltriacontane

10,20-dimethyltriacontane (PubChem CID 91752048) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 10,20-dimethyltriacontane.

Molecular Properties

Compound Name10,20-dimethyltriacontane
PubChem CID91752048
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name10,20-dimethyltriacontane
SMILESCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCC
InChIInChI=1S/C32H66/c1-5-7-9-11-13-16-20-24-28-32(4)30-26-22-18-14-17-21-25-29-31(3)27-23-19-15-12-10-8-6-2/h31-32H,5-30H2,1-4H3
InChIKeyIINBCGOGBHXQNE-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

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 10,20-dimethyltriacontane?
The IUPAC name of 10,20-dimethyltriacontane (CID 91752048) is 10,20-dimethyltriacontane.
What is the SMILES notation for 10,20-dimethyltriacontane?
The canonical SMILES for 10,20-dimethyltriacontane is CCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCC.
What is the InChIKey of 10,20-dimethyltriacontane?
The InChIKey is IINBCGOGBHXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-5-7-9-11-13-16-20-24-28-32(4)30-26-22-18-14-17-21-25-29-31(3)27-23-19-15-12-10-8-6-2/h31-32H,5-30H2,1-4H3.
What are the key properties of 10,20-dimethyltriacontane?
10,20-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 10,20-dimethyltriacontane is sourced from PubChem (CID 91752048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).