1-dimethoxyphosphorylethane

C4H11O3P — CID 521983

IUPAC1-dimethoxyphosphorylethane
SMILESCCP(=O)(OC)OC
InChIInChI=1S/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3
InChIKeyYHQMSHVVGOSZEW-UHFFFAOYSA-N
MW138.10 g/mol
LogP1.49
Rot. Bonds3

About 1-dimethoxyphosphorylethane

1-dimethoxyphosphorylethane (PubChem CID 521983) has the molecular formula C4H11O3P and a molecular weight of 138.10 g/mol. Its IUPAC name is 1-dimethoxyphosphorylethane.

Molecular Properties

Compound Name1-dimethoxyphosphorylethane
PubChem CID521983
Molecular FormulaC4H11O3P
Molecular Weight138.10 g/mol
Exact Mass138.04
IUPAC Name1-dimethoxyphosphorylethane
SMILESCCP(=O)(OC)OC
InChIInChI=1S/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3
InChIKeyYHQMSHVVGOSZEW-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 51.49
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

Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Dimethyl propylphosphonate
CID 87779
Dimethyl vinylphosphonate
CID 78376
Ethyl methyl ethylphosphonate
CID 79183
Phosphonic acid, propyl-, methyl ester
CID 3041195
Phosphonic acid, ethyl-, monoethyl ester
CID 23731
Methyl P,P-diethylphosphinate
CID 201241
Dimethyl isopropylphosphonate
CID 573520
Dimethyl ethylphosphonite
CID 2784207
Dimethyl butylphosphonate
CID 14593820
Monomethyl ethylphosphonate
CID 115298

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphorylethane?
The IUPAC name of 1-dimethoxyphosphorylethane (CID 521983) is 1-dimethoxyphosphorylethane.
What is the SMILES notation for 1-dimethoxyphosphorylethane?
The canonical SMILES for 1-dimethoxyphosphorylethane is CCP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylethane?
The InChIKey is YHQMSHVVGOSZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3.
What are the key properties of 1-dimethoxyphosphorylethane?
1-dimethoxyphosphorylethane has a molecular weight of 138.10 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylethane is sourced from PubChem (CID 521983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).