(tetraethyl-λ5-phosphanyl) benzoate

C15H25O2P — CID 66884387

IUPAC(tetraethyl-λ5-phosphanyl) benzoate
SMILESCCP(CC)(CC)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C15H25O2P/c1-5-18(6-2,7-3,8-4)17-15(16)14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3
InChIKeyICXLHTAUDPWWMU-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.39
Rot. Bonds6

About (tetraethyl-λ5-phosphanyl) benzoate

(tetraethyl-λ5-phosphanyl) benzoate (PubChem CID 66884387) has the molecular formula C15H25O2P and a molecular weight of 268.34 g/mol. Its IUPAC name is (tetraethyl-λ5-phosphanyl) benzoate.

Molecular Properties

Compound Name(tetraethyl-λ5-phosphanyl) benzoate
PubChem CID66884387
Molecular FormulaC15H25O2P
Molecular Weight268.34 g/mol
Exact Mass268.16
IUPAC Name(tetraethyl-λ5-phosphanyl) benzoate
SMILESCCP(CC)(CC)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C15H25O2P/c1-5-18(6-2,7-3,8-4)17-15(16)14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3
InChIKeyICXLHTAUDPWWMU-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (tetraethyl-λ5-phosphanyl) benzoate 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

(tetrapropyl-λ5-phosphanyl) benzoate
CID 66885097
[diethyl(dimethyl)-λ5-phosphanyl] benzoate
CID 177306629
2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid
CID 67930573
(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate
CID 177306635
benzenecarboperoxoic acid;propane
CID 87106834
CID 158970570
CID 158970570
ethyl benzoate;phthalic acid
CID 159584831
chloroethane;ethyl benzoate
CID 91175503
ethylphosphanyl benzoate
CID 70434522
ethylsulfanyl benzoate
CID 118035697
ethyl benzoate;toluene
CID 23150750
triethylstannyl benzoate
CID 16692834

Frequently Asked Questions

What is the IUPAC name of (tetraethyl-λ5-phosphanyl) benzoate?
The IUPAC name of (tetraethyl-λ5-phosphanyl) benzoate (CID 66884387) is (tetraethyl-λ5-phosphanyl) benzoate.
What is the SMILES notation for (tetraethyl-λ5-phosphanyl) benzoate?
The canonical SMILES for (tetraethyl-λ5-phosphanyl) benzoate is CCP(CC)(CC)(CC)OC(=O)c1ccccc1.
What is the InChIKey of (tetraethyl-λ5-phosphanyl) benzoate?
The InChIKey is ICXLHTAUDPWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2P/c1-5-18(6-2,7-3,8-4)17-15(16)14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3.
What are the key properties of (tetraethyl-λ5-phosphanyl) benzoate?
(tetraethyl-λ5-phosphanyl) benzoate has a molecular weight of 268.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraethyl-λ5-phosphanyl) benzoate is sourced from PubChem (CID 66884387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).