1-dimethoxyphosphoryl-1-methoxyethane

C5H13O4P — CID 10374816

IUPAC1-dimethoxyphosphoryl-1-methoxyethane
SMILESCOC(C)P(=O)(OC)OC
InChIInChI=1S/C5H13O4P/c1-5(7-2)10(6,8-3)9-4/h5H,1-4H3
InChIKeyCMTHUKRBWPWGHX-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.46
Rot. Bonds4

About 1-dimethoxyphosphoryl-1-methoxyethane

1-dimethoxyphosphoryl-1-methoxyethane (PubChem CID 10374816) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1-methoxyethane.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1-methoxyethane
PubChem CID10374816
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1-dimethoxyphosphoryl-1-methoxyethane
SMILESCOC(C)P(=O)(OC)OC
InChIInChI=1S/C5H13O4P/c1-5(7-2)10(6,8-3)9-4/h5H,1-4H3
InChIKeyCMTHUKRBWPWGHX-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1-methoxyethane?
The IUPAC name of 1-dimethoxyphosphoryl-1-methoxyethane (CID 10374816) is 1-dimethoxyphosphoryl-1-methoxyethane.
What is the SMILES notation for 1-dimethoxyphosphoryl-1-methoxyethane?
The canonical SMILES for 1-dimethoxyphosphoryl-1-methoxyethane is COC(C)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-1-methoxyethane?
The InChIKey is CMTHUKRBWPWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P/c1-5(7-2)10(6,8-3)9-4/h5H,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-1-methoxyethane?
1-dimethoxyphosphoryl-1-methoxyethane has a molecular weight of 168.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1-methoxyethane is sourced from PubChem (CID 10374816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).