1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane

C6H14ClO4P — CID 14258001

IUPAC1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(COCCl)OCC
InChIInChI=1S/C6H14ClO4P/c1-3-10-12(8,11-4-2)6-9-5-7/h3-6H2,1-2H3
InChIKeyNCWNQOCBXUBOLP-UHFFFAOYSA-N
MW216.60 g/mol
LogP2.42
Rot. Bonds7

About 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane

1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 14258001) has the molecular formula C6H14ClO4P and a molecular weight of 216.60 g/mol. Its IUPAC name is 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane
PubChem CID14258001
Molecular FormulaC6H14ClO4P
Molecular Weight216.60 g/mol
Exact Mass216.03
IUPAC Name1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(COCCl)OCC
InChIInChI=1S/C6H14ClO4P/c1-3-10-12(8,11-4-2)6-9-5-7/h3-6H2,1-2H3
InChIKeyNCWNQOCBXUBOLP-UHFFFAOYSA-N
XLogP2.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.60
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
diethoxyphosphorylmethyl propanoate
CID 12709685
sodium diethoxyphosphorylmethanol
CID 22274944
2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane
CID 59796118
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
3-diethoxyphosphorylprop-1-ene
CID 573014
CID 23272700
CID 23272700
1-diethoxyphosphoryl-3-ethoxypropan-2-one
CID 23262182
diethoxyphosphorylmethyl prop-2-enyl carbonate
CID 23420194
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135

Frequently Asked Questions

What is the IUPAC name of 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane (CID 14258001) is 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(COCCl)OCC.
What is the InChIKey of 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is NCWNQOCBXUBOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO4P/c1-3-10-12(8,11-4-2)6-9-5-7/h3-6H2,1-2H3.
What are the key properties of 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane?
1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 216.60 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 14258001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).