13,19-dimethylhentriacontane

C33H68 — CID 86136051

IUPAC13,19-dimethylhentriacontane
SMILESCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCCCCCCCC
InChIInChI=1S/C33H68/c1-5-7-9-11-13-15-17-19-21-24-28-32(3)30-26-23-27-31-33(4)29-25-22-20-18-16-14-12-10-8-6-2/h32-33H,5-31H2,1-4H3
InChIKeyXJEDGQSFMRCOMS-UHFFFAOYSA-N
MW464.91 g/mol
LogP12.83
Rot. Bonds28

About 13,19-dimethylhentriacontane

13,19-dimethylhentriacontane (PubChem CID 86136051) has the molecular formula C33H68 and a molecular weight of 464.91 g/mol. Its IUPAC name is 13,19-dimethylhentriacontane.

Molecular Properties

Compound Name13,19-dimethylhentriacontane
PubChem CID86136051
Molecular FormulaC33H68
Molecular Weight464.91 g/mol
Exact Mass464.53
IUPAC Name13,19-dimethylhentriacontane
SMILESCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCCCCCCCC
InChIInChI=1S/C33H68/c1-5-7-9-11-13-15-17-19-21-24-28-32(3)30-26-23-27-31-33(4)29-25-22-20-18-16-14-12-10-8-6-2/h32-33H,5-31H2,1-4H3
InChIKeyXJEDGQSFMRCOMS-UHFFFAOYSA-N
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 512.83
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
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of 13,19-dimethylhentriacontane?
The IUPAC name of 13,19-dimethylhentriacontane (CID 86136051) is 13,19-dimethylhentriacontane.
What is the SMILES notation for 13,19-dimethylhentriacontane?
The canonical SMILES for 13,19-dimethylhentriacontane is CCCCCCCCCCCCC(C)CCCCCC(C)CCCCCCCCCCCC.
What is the InChIKey of 13,19-dimethylhentriacontane?
The InChIKey is XJEDGQSFMRCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68/c1-5-7-9-11-13-15-17-19-21-24-28-32(3)30-26-23-27-31-33(4)29-25-22-20-18-16-14-12-10-8-6-2/h32-33H,5-31H2,1-4H3.
What are the key properties of 13,19-dimethylhentriacontane?
13,19-dimethylhentriacontane has a molecular weight of 464.91 g/mol, XLogP of 12.83, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,19-dimethylhentriacontane is sourced from PubChem (CID 86136051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).