1-methoxyethyl dihydrogen phosphite

C3H9O4P — CID 87851889

IUPAC1-methoxyethyl dihydrogen phosphite
SMILESCOC(C)OP(O)O
InChIInChI=1S/C3H9O4P/c1-3(6-2)7-8(4)5/h3-5H,1-2H3
InChIKeyDLJKCWVOHZHFHC-UHFFFAOYSA-N
MW140.07 g/mol
LogP0.21
Rot. Bonds3

About 1-methoxyethyl dihydrogen phosphite

1-methoxyethyl dihydrogen phosphite (PubChem CID 87851889) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is 1-methoxyethyl dihydrogen phosphite.

Molecular Properties

Compound Name1-methoxyethyl dihydrogen phosphite
PubChem CID87851889
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Name1-methoxyethyl dihydrogen phosphite
SMILESCOC(C)OP(O)O
InChIInChI=1S/C3H9O4P/c1-3(6-2)7-8(4)5/h3-5H,1-2H3
InChIKeyDLJKCWVOHZHFHC-UHFFFAOYSA-N
XLogP0.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl dihydrogen phosphite?
The IUPAC name of 1-methoxyethyl dihydrogen phosphite (CID 87851889) is 1-methoxyethyl dihydrogen phosphite.
What is the SMILES notation for 1-methoxyethyl dihydrogen phosphite?
The canonical SMILES for 1-methoxyethyl dihydrogen phosphite is COC(C)OP(O)O.
What is the InChIKey of 1-methoxyethyl dihydrogen phosphite?
The InChIKey is DLJKCWVOHZHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P/c1-3(6-2)7-8(4)5/h3-5H,1-2H3.
What are the key properties of 1-methoxyethyl dihydrogen phosphite?
1-methoxyethyl dihydrogen phosphite has a molecular weight of 140.07 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl dihydrogen phosphite is sourced from PubChem (CID 87851889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).