9-propyltricosane

C26H54 — CID 54290141

IUPAC9-propyltricosane
SMILESCCCCCCCCCCCCCCC(CCC)CCCCCCCC
InChIInChI=1S/C26H54/c1-4-7-9-11-13-14-15-16-17-18-20-22-25-26(23-6-3)24-21-19-12-10-8-5-2/h26H,4-25H2,1-3H3
InChIKeyUAPHDKRYINDILH-UHFFFAOYSA-N
MW366.72 g/mol
LogP10.24
Rot. Bonds22

About 9-propyltricosane

9-propyltricosane (PubChem CID 54290141) has the molecular formula C26H54 and a molecular weight of 366.72 g/mol. Its IUPAC name is 9-propyltricosane.

Molecular Properties

Compound Name9-propyltricosane
PubChem CID54290141
Molecular FormulaC26H54
Molecular Weight366.72 g/mol
Exact Mass366.42
IUPAC Name9-propyltricosane
SMILESCCCCCCCCCCCCCCC(CCC)CCCCCCCC
InChIInChI=1S/C26H54/c1-4-7-9-11-13-14-15-16-17-18-20-22-25-26(23-6-3)24-21-19-12-10-8-5-2/h26H,4-25H2,1-3H3
InChIKeyUAPHDKRYINDILH-UHFFFAOYSA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 510.24
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
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
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 9-propyltricosane?
The IUPAC name of 9-propyltricosane (CID 54290141) is 9-propyltricosane.
What is the SMILES notation for 9-propyltricosane?
The canonical SMILES for 9-propyltricosane is CCCCCCCCCCCCCCC(CCC)CCCCCCCC.
What is the InChIKey of 9-propyltricosane?
The InChIKey is UAPHDKRYINDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54/c1-4-7-9-11-13-14-15-16-17-18-20-22-25-26(23-6-3)24-21-19-12-10-8-5-2/h26H,4-25H2,1-3H3.
What are the key properties of 9-propyltricosane?
9-propyltricosane has a molecular weight of 366.72 g/mol, XLogP of 10.24, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyltricosane is sourced from PubChem (CID 54290141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).