(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate

C15H25O2P — CID 177306635

IUPAC(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate
SMILESCCP(C)(CC)(OC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C15H25O2P/c1-6-18(5,7-2,13(3)4)17-15(16)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3
InChIKeyPSKXHFKMYDTJCR-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.39
Rot. Bonds5

About (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate

(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate (PubChem CID 177306635) has the molecular formula C15H25O2P and a molecular weight of 268.34 g/mol. Its IUPAC name is (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate.

Molecular Properties

Compound Name(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate
PubChem CID177306635
Molecular FormulaC15H25O2P
Molecular Weight268.34 g/mol
Exact Mass268.16
IUPAC Name(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate
SMILESCCP(C)(CC)(OC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C15H25O2P/c1-6-18(5,7-2,13(3)4)17-15(16)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3
InChIKeyPSKXHFKMYDTJCR-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

[diethyl(dimethyl)-λ5-phosphanyl] benzoate
CID 177306629
(tetraethyl-λ5-phosphanyl) benzoate
CID 66884387
(tetrapropyl-λ5-phosphanyl) benzoate
CID 66885097
1-aminopropyl benzoate;copper
CID 70588917
benzenecarboperoxoic acid;propane
CID 87106834
1-phenylethyl benzoate
CID 174857426
[(2S)-pentan-2-yl] benzoate
CID 101019298
[(2R)-2-phenylpropyl] benzoate
CID 101021839
CID 158970570
CID 158970570
methyl benzoate;2-methylpropan-1-ol
CID 69407319
1-ethylsulfanylethyl benzoate
CID 132576408
[2-(benzoyloxymethyl)-2-butan-2-yl-3-methylpentyl] benzoate
CID 141233302

Frequently Asked Questions

What is the IUPAC name of (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate?
The IUPAC name of (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate (CID 177306635) is (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate.
What is the SMILES notation for (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate?
The canonical SMILES for (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate is CCP(C)(CC)(OC(=O)c1ccccc1)C(C)C.
What is the InChIKey of (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate?
The InChIKey is PSKXHFKMYDTJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2P/c1-6-18(5,7-2,13(3)4)17-15(16)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3.
What are the key properties of (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate?
(diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate has a molecular weight of 268.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (diethyl-methyl-propan-2-yl-λ5-phosphanyl) benzoate is sourced from PubChem (CID 177306635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).