1-dimethylphosphoryloxyethane

C4H11O2P — CID 4188716

IUPAC1-dimethylphosphoryloxyethane
SMILESCCOP(C)(C)=O
InChIInChI=1S/C4H11O2P/c1-4-6-7(2,3)5/h4H2,1-3H3
InChIKeyGVFPRYAPMFINSY-UHFFFAOYSA-N
MW122.10 g/mol
LogP1.56
Rot. Bonds2

About 1-dimethylphosphoryloxyethane

1-dimethylphosphoryloxyethane (PubChem CID 4188716) has the molecular formula C4H11O2P and a molecular weight of 122.10 g/mol. Its IUPAC name is 1-dimethylphosphoryloxyethane.

Molecular Properties

Compound Name1-dimethylphosphoryloxyethane
PubChem CID4188716
Molecular FormulaC4H11O2P
Molecular Weight122.10 g/mol
Exact Mass122.05
IUPAC Name1-dimethylphosphoryloxyethane
SMILESCCOP(C)(C)=O
InChIInChI=1S/C4H11O2P/c1-4-6-7(2,3)5/h4H2,1-3H3
InChIKeyGVFPRYAPMFINSY-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dimethylphosphoryloxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triethyl Phosphate
CID 6535
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Ethyl methylphosphonate
CID 449085
Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Diethyl methylphosphonite
CID 85063
Diethyl phosphoric acid
CID 5166299
Ethyl methyl ethylphosphonate
CID 79183
Butyl methylphosphinate
CID 10877172
Ethyl methylphosphinate
CID 6328184
Diethyl (iodomethyl)phosphonate
CID 82616

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryloxyethane?
The IUPAC name of 1-dimethylphosphoryloxyethane (CID 4188716) is 1-dimethylphosphoryloxyethane.
What is the SMILES notation for 1-dimethylphosphoryloxyethane?
The canonical SMILES for 1-dimethylphosphoryloxyethane is CCOP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryloxyethane?
The InChIKey is GVFPRYAPMFINSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2P/c1-4-6-7(2,3)5/h4H2,1-3H3.
What are the key properties of 1-dimethylphosphoryloxyethane?
1-dimethylphosphoryloxyethane has a molecular weight of 122.10 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryloxyethane is sourced from PubChem (CID 4188716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).