15-propylpentatriacontane

C38H78 — CID 91540514

IUPAC15-propylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCC
InChIInChI=1S/C38H78/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-37-38(35-6-3)36-33-31-29-27-25-18-16-14-12-10-8-5-2/h38H,4-37H2,1-3H3
InChIKeyARNAWKZUYIWSSQ-UHFFFAOYSA-N
MW535.04 g/mol
LogP14.93
Rot. Bonds34

About 15-propylpentatriacontane

15-propylpentatriacontane (PubChem CID 91540514) has the molecular formula C38H78 and a molecular weight of 535.04 g/mol. Its IUPAC name is 15-propylpentatriacontane.

Molecular Properties

Compound Name15-propylpentatriacontane
PubChem CID91540514
Molecular FormulaC38H78
Molecular Weight535.04 g/mol
Exact Mass534.61
IUPAC Name15-propylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCC
InChIInChI=1S/C38H78/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-37-38(35-6-3)36-33-31-29-27-25-18-16-14-12-10-8-5-2/h38H,4-37H2,1-3H3
InChIKeyARNAWKZUYIWSSQ-UHFFFAOYSA-N
XLogP14.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.04
LogP ≤ 514.93
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

13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
12-propylhenpentacontane
CID 123984579
5-propylpentacosane
CID 91493421
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of 15-propylpentatriacontane?
The IUPAC name of 15-propylpentatriacontane (CID 91540514) is 15-propylpentatriacontane.
What is the SMILES notation for 15-propylpentatriacontane?
The canonical SMILES for 15-propylpentatriacontane is CCCCCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCC.
What is the InChIKey of 15-propylpentatriacontane?
The InChIKey is ARNAWKZUYIWSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-37-38(35-6-3)36-33-31-29-27-25-18-16-14-12-10-8-5-2/h38H,4-37H2,1-3H3.
What are the key properties of 15-propylpentatriacontane?
15-propylpentatriacontane has a molecular weight of 535.04 g/mol, XLogP of 14.93, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propylpentatriacontane is sourced from PubChem (CID 91540514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).