2-diethoxyphosphoryl-2,3,3-trimethyloxirane

C9H19O4P — CID 24975893

IUPAC2-diethoxyphosphoryl-2,3,3-trimethyloxirane
SMILESCCOP(=O)(OCC)C1(C)OC1(C)C
InChIInChI=1S/C9H19O4P/c1-6-11-14(10,12-7-2)9(5)8(3,4)13-9/h6-7H2,1-5H3
InChIKeyXBWWRMUQXBRSIG-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.78
Rot. Bonds5

About 2-diethoxyphosphoryl-2,3,3-trimethyloxirane

2-diethoxyphosphoryl-2,3,3-trimethyloxirane (PubChem CID 24975893) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2,3,3-trimethyloxirane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2,3,3-trimethyloxirane
PubChem CID24975893
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name2-diethoxyphosphoryl-2,3,3-trimethyloxirane
SMILESCCOP(=O)(OCC)C1(C)OC1(C)C
InChIInChI=1S/C9H19O4P/c1-6-11-14(10,12-7-2)9(5)8(3,4)13-9/h6-7H2,1-5H3
InChIKeyXBWWRMUQXBRSIG-UHFFFAOYSA-N
XLogP2.78
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
CID 99771569
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
but-3-ynyl diethyl phosphate
CID 152673570
2-diethoxyphosphoryl-2-methylpyrrolidine
CID 5007980
(1S,5S)-1-diethoxyphosphoryl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 132518276
CID 10920347
CID 10920347
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
CID 15882675
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100963635
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
diethoxy ethyl phosphate
CID 22136775

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2,3,3-trimethyloxirane?
The IUPAC name of 2-diethoxyphosphoryl-2,3,3-trimethyloxirane (CID 24975893) is 2-diethoxyphosphoryl-2,3,3-trimethyloxirane.
What is the SMILES notation for 2-diethoxyphosphoryl-2,3,3-trimethyloxirane?
The canonical SMILES for 2-diethoxyphosphoryl-2,3,3-trimethyloxirane is CCOP(=O)(OCC)C1(C)OC1(C)C.
What is the InChIKey of 2-diethoxyphosphoryl-2,3,3-trimethyloxirane?
The InChIKey is XBWWRMUQXBRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-6-11-14(10,12-7-2)9(5)8(3,4)13-9/h6-7H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-2,3,3-trimethyloxirane?
2-diethoxyphosphoryl-2,3,3-trimethyloxirane has a molecular weight of 222.22 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2,3,3-trimethyloxirane is sourced from PubChem (CID 24975893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).