6-propyltetracosane

C27H56 — CID 91039357

IUPAC6-propyltetracosane
SMILESCCCCCCCCCCCCCCCCCCC(CCC)CCCCC
InChIInChI=1S/C27H56/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-27(24-6-3)25-22-8-5-2/h27H,4-26H2,1-3H3
InChIKeyPETVYFGBIZXXQE-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.63
Rot. Bonds23

About 6-propyltetracosane

6-propyltetracosane (PubChem CID 91039357) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 6-propyltetracosane.

Molecular Properties

Compound Name6-propyltetracosane
PubChem CID91039357
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name6-propyltetracosane
SMILESCCCCCCCCCCCCCCCCCCC(CCC)CCCCC
InChIInChI=1S/C27H56/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-27(24-6-3)25-22-8-5-2/h27H,4-26H2,1-3H3
InChIKeyPETVYFGBIZXXQE-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.63
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
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 6-propyltetracosane?
The IUPAC name of 6-propyltetracosane (CID 91039357) is 6-propyltetracosane.
What is the SMILES notation for 6-propyltetracosane?
The canonical SMILES for 6-propyltetracosane is CCCCCCCCCCCCCCCCCCC(CCC)CCCCC.
What is the InChIKey of 6-propyltetracosane?
The InChIKey is PETVYFGBIZXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-27(24-6-3)25-22-8-5-2/h27H,4-26H2,1-3H3.
What are the key properties of 6-propyltetracosane?
6-propyltetracosane has a molecular weight of 380.75 g/mol, XLogP of 10.63, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyltetracosane is sourced from PubChem (CID 91039357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).