7-pentyltricosane

C28H58 — CID 90879409

IUPAC7-pentyltricosane
SMILESCCCCCCCCCCCCCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C28H58/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-24-27-28(25-22-9-6-3)26-23-11-8-5-2/h28H,4-27H2,1-3H3
InChIKeyJEPPQEUZYULFES-UHFFFAOYSA-N
MW394.77 g/mol
LogP11.02
Rot. Bonds24

About 7-pentyltricosane

7-pentyltricosane (PubChem CID 90879409) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 7-pentyltricosane.

Molecular Properties

Compound Name7-pentyltricosane
PubChem CID90879409
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name7-pentyltricosane
SMILESCCCCCCCCCCCCCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C28H58/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-24-27-28(25-22-9-6-3)26-23-11-8-5-2/h28H,4-27H2,1-3H3
InChIKeyJEPPQEUZYULFES-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'}

Analyze 7-pentyltricosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 7-pentyltricosane?
The IUPAC name of 7-pentyltricosane (CID 90879409) is 7-pentyltricosane.
What is the SMILES notation for 7-pentyltricosane?
The canonical SMILES for 7-pentyltricosane is CCCCCCCCCCCCCCCCC(CCCCC)CCCCCC.
What is the InChIKey of 7-pentyltricosane?
The InChIKey is JEPPQEUZYULFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-24-27-28(25-22-9-6-3)26-23-11-8-5-2/h28H,4-27H2,1-3H3.
What are the key properties of 7-pentyltricosane?
7-pentyltricosane 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 7-pentyltricosane is sourced from PubChem (CID 90879409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).