5,23-dimethyltritriacontane

C35H72 — CID 71339926

IUPAC5,23-dimethyltritriacontane
SMILESCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C35H72/c1-5-7-9-10-11-21-24-28-32-35(4)33-29-26-23-20-18-16-14-12-13-15-17-19-22-25-27-31-34(3)30-8-6-2/h34-35H,5-33H2,1-4H3
InChIKeyNGSVUPZVOXFNCJ-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.61
Rot. Bonds30

About 5,23-dimethyltritriacontane

5,23-dimethyltritriacontane (PubChem CID 71339926) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 5,23-dimethyltritriacontane.

Molecular Properties

Compound Name5,23-dimethyltritriacontane
PubChem CID71339926
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name5,23-dimethyltritriacontane
SMILESCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C35H72/c1-5-7-9-10-11-21-24-28-32-35(4)33-29-26-23-20-18-16-14-12-13-15-17-19-22-25-27-31-34(3)30-8-6-2/h34-35H,5-33H2,1-4H3
InChIKeyNGSVUPZVOXFNCJ-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.61
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

5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,8,18,24-tetramethylhentriacontane
CID 6430103
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532

Frequently Asked Questions

What is the IUPAC name of 5,23-dimethyltritriacontane?
The IUPAC name of 5,23-dimethyltritriacontane (CID 71339926) is 5,23-dimethyltritriacontane.
What is the SMILES notation for 5,23-dimethyltritriacontane?
The canonical SMILES for 5,23-dimethyltritriacontane is CCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC(C)CCCC.
What is the InChIKey of 5,23-dimethyltritriacontane?
The InChIKey is NGSVUPZVOXFNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-5-7-9-10-11-21-24-28-32-35(4)33-29-26-23-20-18-16-14-12-13-15-17-19-22-25-27-31-34(3)30-8-6-2/h34-35H,5-33H2,1-4H3.
What are the key properties of 5,23-dimethyltritriacontane?
5,23-dimethyltritriacontane has a molecular weight of 492.96 g/mol, XLogP of 13.61, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,23-dimethyltritriacontane is sourced from PubChem (CID 71339926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).