dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane

C26H42O3P-3 — CID 170851647

IUPACdec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane
SMILESCCCCCCCCC=Cc1ccccc1P([O-])([O-])([O-])C=CCCCCCCCC
InChIInChI=1S/C26H42O3P/c1-3-5-7-9-11-13-15-17-21-25-22-18-19-23-26(25)30(27,28,29)24-20-16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3/q-3
InChIKeyAICOSEMVSGWCEQ-UHFFFAOYSA-N
MW433.59 g/mol
LogP5.72
Rot. Bonds17

About dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane

dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane (PubChem CID 170851647) has the molecular formula C26H42O3P-3 and a molecular weight of 433.59 g/mol. Its IUPAC name is dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane.

Molecular Properties

Compound Namedec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane
PubChem CID170851647
Molecular FormulaC26H42O3P-3
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Namedec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane
SMILESCCCCCCCCC=Cc1ccccc1P([O-])([O-])([O-])C=CCCCCCCCC
InChIInChI=1S/C26H42O3P/c1-3-5-7-9-11-13-15-17-21-25-22-18-19-23-26(25)30(27,28,29)24-20-16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3/q-3
InChIKeyAICOSEMVSGWCEQ-UHFFFAOYSA-N
XLogP5.72
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane?
The IUPAC name of dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane (CID 170851647) is dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane.
What is the SMILES notation for dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane?
The canonical SMILES for dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane is CCCCCCCCC=Cc1ccccc1P([O-])([O-])([O-])C=CCCCCCCCC.
What is the InChIKey of dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane?
The InChIKey is AICOSEMVSGWCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O3P/c1-3-5-7-9-11-13-15-17-21-25-22-18-19-23-26(25)30(27,28,29)24-20-16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3/q-3.
What are the key properties of dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane?
dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane has a molecular weight of 433.59 g/mol, XLogP of 5.72, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-enyl-(2-dec-1-enylphenyl)-trioxido-λ5-phosphane is sourced from PubChem (CID 170851647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).