13,23-dimethylhexatriacontane

C38H78 — CID 6430392

IUPAC13,23-dimethylhexatriacontane
SMILESCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCCC
InChIInChI=1S/C38H78/c1-5-7-9-11-13-15-17-19-22-26-30-34-38(4)36-32-28-24-20-23-27-31-35-37(3)33-29-25-21-18-16-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3
InChIKeyDDQYFZDYUBBWQF-UHFFFAOYSA-N
MW535.04 g/mol
LogP14.78
Rot. Bonds33

About 13,23-dimethylhexatriacontane

13,23-dimethylhexatriacontane (PubChem CID 6430392) has the molecular formula C38H78 and a molecular weight of 535.04 g/mol. Its IUPAC name is 13,23-dimethylhexatriacontane.

Molecular Properties

Compound Name13,23-dimethylhexatriacontane
PubChem CID6430392
Molecular FormulaC38H78
Molecular Weight535.04 g/mol
Exact Mass534.61
IUPAC Name13,23-dimethylhexatriacontane
SMILESCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCCC
InChIInChI=1S/C38H78/c1-5-7-9-11-13-15-17-19-22-26-30-34-38(4)36-32-28-24-20-23-27-31-35-37(3)33-29-25-21-18-16-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3
InChIKeyDDQYFZDYUBBWQF-UHFFFAOYSA-N
XLogP14.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.04
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 13,23-dimethylhexatriacontane with MolForge

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

Launch Full Analysis

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
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of 13,23-dimethylhexatriacontane?
The IUPAC name of 13,23-dimethylhexatriacontane (CID 6430392) is 13,23-dimethylhexatriacontane.
What is the SMILES notation for 13,23-dimethylhexatriacontane?
The canonical SMILES for 13,23-dimethylhexatriacontane is CCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCCC.
What is the InChIKey of 13,23-dimethylhexatriacontane?
The InChIKey is DDQYFZDYUBBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78/c1-5-7-9-11-13-15-17-19-22-26-30-34-38(4)36-32-28-24-20-23-27-31-35-37(3)33-29-25-21-18-16-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3.
What are the key properties of 13,23-dimethylhexatriacontane?
13,23-dimethylhexatriacontane has a molecular weight of 535.04 g/mol, XLogP of 14.78, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,23-dimethylhexatriacontane is sourced from PubChem (CID 6430392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).