5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one

C16H23O5P — CID 24766405

IUPAC5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one
SMILESCCOP(=O)(OCC)C1(C)CC(Cc2ccccc2)OC1=O
InChIInChI=1S/C16H23O5P/c1-4-19-22(18,20-5-2)16(3)12-14(21-15(16)17)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3
InChIKeyZSYHANPPDCAXGY-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.57
Rot. Bonds7

About 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one

5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one (PubChem CID 24766405) has the molecular formula C16H23O5P and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one
PubChem CID24766405
Molecular FormulaC16H23O5P
Molecular Weight326.33 g/mol
Exact Mass326.13
IUPAC Name5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one
SMILESCCOP(=O)(OCC)C1(C)CC(Cc2ccccc2)OC1=O
InChIInChI=1S/C16H23O5P/c1-4-19-22(18,20-5-2)16(3)12-14(21-15(16)17)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3
InChIKeyZSYHANPPDCAXGY-UHFFFAOYSA-N
XLogP3.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one 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

2-benzyl-4,4-dimethyloxolane
CID 102308399
(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)oxolan-2-one
CID 122688447
benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate
CID 154722542
(2R,4R)-2-diethoxyphosphoryl-2-methyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium
CID 102351429
3-benzyl-5-(ethoxymethyl)oxolan-2-one
CID 12815720
(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
CID 11398376
2-benzyl-1,3,3-trimethylpiperidin-4-one
CID 21448643
3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10989192
(1S,5S)-1-diethoxyphosphoryl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 132518276
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
cis-(1S,2S)-1-diethoxyphosphoryl-2-methyl-N-[(1R)-1-phenylethyl]cyclopropan-1-amine
CID 10781332
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
CID 15668312

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one?
The IUPAC name of 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one (CID 24766405) is 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one.
What is the SMILES notation for 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one?
The canonical SMILES for 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one is CCOP(=O)(OCC)C1(C)CC(Cc2ccccc2)OC1=O.
What is the InChIKey of 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one?
The InChIKey is ZSYHANPPDCAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O5P/c1-4-19-22(18,20-5-2)16(3)12-14(21-15(16)17)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3.
What are the key properties of 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one?
5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one has a molecular weight of 326.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one is sourced from PubChem (CID 24766405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).