(E)-10-propyldocos-5-ene

C25H50 — CID 173194543

IUPAC(E)-10-propyldocos-5-ene
SMILESCCCC/C=C/CCCC(CCC)CCCCCCCCCCCC
InChIInChI=1S/C25H50/c1-4-7-9-11-13-14-15-17-19-21-24-25(22-6-3)23-20-18-16-12-10-8-5-2/h12,16,25H,4-11,13-15,17-24H2,1-3H3/b16-12+
InChIKeyCSKXBPRSQXHWJF-FOWTUZBSSA-N
MW350.68 g/mol
LogP9.63
Rot. Bonds20

About (E)-10-propyldocos-5-ene

(E)-10-propyldocos-5-ene (PubChem CID 173194543) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is (E)-10-propyldocos-5-ene.

Molecular Properties

Compound Name(E)-10-propyldocos-5-ene
PubChem CID173194543
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name(E)-10-propyldocos-5-ene
SMILESCCCC/C=C/CCCC(CCC)CCCCCCCCCCCC
InChIInChI=1S/C25H50/c1-4-7-9-11-13-14-15-17-19-21-24-25(22-6-3)23-20-18-16-12-10-8-5-2/h12,16,25H,4-11,13-15,17-24H2,1-3H3/b16-12+
InChIKeyCSKXBPRSQXHWJF-FOWTUZBSSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-10-propyldocos-5-ene 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-propylhenicos-9-ene
CID 175294626
19-propyltritriaconta-6,9,24-triene
CID 54372361
1,1,37,37-tetrachloro-19-pentylheptatriaconta-9,28-diene
CID 54235384
6-propylhexadec-8-ene
CID 174779500
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
(E)-12-propylhexacos-9-ene
CID 173194429

Frequently Asked Questions

What is the IUPAC name of (E)-10-propyldocos-5-ene?
The IUPAC name of (E)-10-propyldocos-5-ene (CID 173194543) is (E)-10-propyldocos-5-ene.
What is the SMILES notation for (E)-10-propyldocos-5-ene?
The canonical SMILES for (E)-10-propyldocos-5-ene is CCCC/C=C/CCCC(CCC)CCCCCCCCCCCC.
What is the InChIKey of (E)-10-propyldocos-5-ene?
The InChIKey is CSKXBPRSQXHWJF-FOWTUZBSSA-N. The full InChI is InChI=1S/C25H50/c1-4-7-9-11-13-14-15-17-19-21-24-25(22-6-3)23-20-18-16-12-10-8-5-2/h12,16,25H,4-11,13-15,17-24H2,1-3H3/b16-12+.
What are the key properties of (E)-10-propyldocos-5-ene?
(E)-10-propyldocos-5-ene has a molecular weight of 350.68 g/mol, XLogP of 9.63, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-propyldocos-5-ene is sourced from PubChem (CID 173194543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).