15-methylhexatriacontane

C37H76 — CID 86002594

IUPAC15-methylhexatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H76/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-37(3)35-33-31-29-27-25-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3
InChIKeyHLYPRJXDOWAQLZ-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.54
Rot. Bonds33

About 15-methylhexatriacontane

15-methylhexatriacontane (PubChem CID 86002594) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is 15-methylhexatriacontane.

Molecular Properties

Compound Name15-methylhexatriacontane
PubChem CID86002594
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name15-methylhexatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H76/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-37(3)35-33-31-29-27-25-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3
InChIKeyHLYPRJXDOWAQLZ-UHFFFAOYSA-N
XLogP14.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 514.54
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
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
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of 15-methylhexatriacontane?
The IUPAC name of 15-methylhexatriacontane (CID 86002594) is 15-methylhexatriacontane.
What is the SMILES notation for 15-methylhexatriacontane?
The canonical SMILES for 15-methylhexatriacontane is CCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC.
What is the InChIKey of 15-methylhexatriacontane?
The InChIKey is HLYPRJXDOWAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-37(3)35-33-31-29-27-25-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3.
What are the key properties of 15-methylhexatriacontane?
15-methylhexatriacontane has a molecular weight of 521.02 g/mol, XLogP of 14.54, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylhexatriacontane is sourced from PubChem (CID 86002594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).