5-propylpentacosane

C28H58 — CID 91493421

IUPAC5-propylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCC(CCC)CCCC
InChIInChI=1S/C28H58/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-28(25-6-3)26-8-5-2/h28H,4-27H2,1-3H3
InChIKeyRIZPMHFCBJHGNZ-UHFFFAOYSA-N
MW394.77 g/mol
LogP11.02
Rot. Bonds24

About 5-propylpentacosane

5-propylpentacosane (PubChem CID 91493421) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 5-propylpentacosane.

Molecular Properties

Compound Name5-propylpentacosane
PubChem CID91493421
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name5-propylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCC(CCC)CCCC
InChIInChI=1S/C28H58/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-28(25-6-3)26-8-5-2/h28H,4-27H2,1-3H3
InChIKeyRIZPMHFCBJHGNZ-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 511.02
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
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
6-butylhenicosane
CID 91802566
13-pentylheptacosane
CID 91387927

Frequently Asked Questions

What is the IUPAC name of 5-propylpentacosane?
The IUPAC name of 5-propylpentacosane (CID 91493421) is 5-propylpentacosane.
What is the SMILES notation for 5-propylpentacosane?
The canonical SMILES for 5-propylpentacosane is CCCCCCCCCCCCCCCCCCCCC(CCC)CCCC.
What is the InChIKey of 5-propylpentacosane?
The InChIKey is RIZPMHFCBJHGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-28(25-6-3)26-8-5-2/h28H,4-27H2,1-3H3.
What are the key properties of 5-propylpentacosane?
5-propylpentacosane has a molecular weight of 394.77 g/mol, XLogP of 11.02, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylpentacosane is sourced from PubChem (CID 91493421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).