(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one

C16H23O5P — CID 24766722

IUPAC(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one
SMILESCCOP(=O)(OCC)[C@@H]1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C16H23O5P/c1-5-19-22(18,20-6-2)14-13(12-10-8-7-9-11-12)16(3,4)21-15(14)17/h7-11,13-14H,5-6H2,1-4H3/t13-,14-/m0/s1
InChIKeyNTAPRHSBRDLTAH-KBPBESRZSA-N
MW326.33 g/mol
LogP3.74
Rot. Bonds6

About (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one

(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one (PubChem CID 24766722) has the molecular formula C16H23O5P and a molecular weight of 326.33 g/mol. Its IUPAC name is (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one
PubChem CID24766722
Molecular FormulaC16H23O5P
Molecular Weight326.33 g/mol
Exact Mass326.13
IUPAC Name(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one
SMILESCCOP(=O)(OCC)[C@@H]1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C16H23O5P/c1-5-19-22(18,20-6-2)14-13(12-10-8-7-9-11-12)16(3,4)21-15(14)17/h7-11,13-14H,5-6H2,1-4H3/t13-,14-/m0/s1
InChIKeyNTAPRHSBRDLTAH-KBPBESRZSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one
CID 15531256
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767
2-acetyl-1-diethoxyphosphoryl-1,2-dihydrobenzo[f]chromen-3-one
CID 15418526
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
(2S,3S,8R)-8-diethoxyphosphoryl-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane;(2S,3S,8S)-8-diethoxyphosphoryl-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane
CID 159126661
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
CID 11398376
[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium
CID 73055193
2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838
diethyl (3S,4R)-4-diethoxyphosphoryl-3-(4-nitrophenyl)-5-oxopyrrolidine-2,2-dicarboxylate
CID 102494183
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one?
The IUPAC name of (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one (CID 24766722) is (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one.
What is the SMILES notation for (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one?
The canonical SMILES for (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one is CCOP(=O)(OCC)[C@@H]1C(=O)OC(C)(C)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one?
The InChIKey is NTAPRHSBRDLTAH-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23O5P/c1-5-19-22(18,20-6-2)14-13(12-10-8-7-9-11-12)16(3,4)21-15(14)17/h7-11,13-14H,5-6H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one?
(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one has a molecular weight of 326.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one is sourced from PubChem (CID 24766722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).