2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane

C7H17O3PS — CID 20532261

IUPAC2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane
SMILESCCOP(C)(=O)S1(C)CCCO1
InChIInChI=1S/C7H17O3PS/c1-4-9-11(2,8)12(3)7-5-6-10-12/h4-7H2,1-3H3
InChIKeyGRSUZYPSAGZIRW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.62
Rot. Bonds3

About 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane

2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane (PubChem CID 20532261) has the molecular formula C7H17O3PS and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane
PubChem CID20532261
Molecular FormulaC7H17O3PS
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Name2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane
SMILESCCOP(C)(=O)S1(C)CCCO1
InChIInChI=1S/C7H17O3PS/c1-4-9-11(2,8)12(3)7-5-6-10-12/h4-7H2,1-3H3
InChIKeyGRSUZYPSAGZIRW-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
CID 10609899
CID 10609899
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
disodium bis(diethyl phosphate)
CID 57370561
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
barium(2+);ethyl phosphate
CID 12691393
diethyl hydrogen phosphate;scandium
CID 54607585
ethoxy(1-hydroxyprop-2-enyl)phosphinic acid
CID 175532614

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane (CID 20532261) is 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane is CCOP(C)(=O)S1(C)CCCO1.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane?
The InChIKey is GRSUZYPSAGZIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3PS/c1-4-9-11(2,8)12(3)7-5-6-10-12/h4-7H2,1-3H3.
What are the key properties of 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane?
2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane has a molecular weight of 212.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane is sourced from PubChem (CID 20532261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).