[diethyl(dimethyl)-λ5-phosphanyl] benzoate

C13H21O2P — CID 177306629

IUPAC[diethyl(dimethyl)-λ5-phosphanyl] benzoate
SMILESCCP(C)(C)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C13H21O2P/c1-5-16(3,4,6-2)15-13(14)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyWICGUJUGJOSDTJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.61
Rot. Bonds4

About [diethyl(dimethyl)-λ5-phosphanyl] benzoate

[diethyl(dimethyl)-λ5-phosphanyl] benzoate (PubChem CID 177306629) has the molecular formula C13H21O2P and a molecular weight of 240.28 g/mol. Its IUPAC name is [diethyl(dimethyl)-λ5-phosphanyl] benzoate.

Molecular Properties

Compound Name[diethyl(dimethyl)-λ5-phosphanyl] benzoate
PubChem CID177306629
Molecular FormulaC13H21O2P
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[diethyl(dimethyl)-λ5-phosphanyl] benzoate
SMILESCCP(C)(C)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C13H21O2P/c1-5-16(3,4,6-2)15-13(14)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyWICGUJUGJOSDTJ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(tetraethyl-λ5-phosphanyl) benzoate
CID 66884387
(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate
CID 177306635
(tetrapropyl-λ5-phosphanyl) benzoate
CID 66885097
benzenecarboperoxoic acid;propane
CID 87106834
CID 158970570
CID 158970570
ethyl benzoate;toluene
CID 23150750
ethylsulfanyl benzoate
CID 118035697
ethylphosphanyl benzoate
CID 70434522
chloroethane;ethyl benzoate
CID 91175503
methyl benzoate;pentane
CID 142510193
triethylstannyl benzoate
CID 16692834
benzoyloxy(triethyl)azanium
CID 12072167

Frequently Asked Questions

What is the IUPAC name of [diethyl(dimethyl)-λ5-phosphanyl] benzoate?
The IUPAC name of [diethyl(dimethyl)-λ5-phosphanyl] benzoate (CID 177306629) is [diethyl(dimethyl)-λ5-phosphanyl] benzoate.
What is the SMILES notation for [diethyl(dimethyl)-λ5-phosphanyl] benzoate?
The canonical SMILES for [diethyl(dimethyl)-λ5-phosphanyl] benzoate is CCP(C)(C)(CC)OC(=O)c1ccccc1.
What is the InChIKey of [diethyl(dimethyl)-λ5-phosphanyl] benzoate?
The InChIKey is WICGUJUGJOSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2P/c1-5-16(3,4,6-2)15-13(14)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3.
What are the key properties of [diethyl(dimethyl)-λ5-phosphanyl] benzoate?
[diethyl(dimethyl)-λ5-phosphanyl] benzoate has a molecular weight of 240.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl(dimethyl)-λ5-phosphanyl] benzoate is sourced from PubChem (CID 177306629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).