1-dimethoxyphosphorylethene;methanol

C5H13O4P — CID 174918241

IUPAC1-dimethoxyphosphorylethene;methanol
SMILESC=CP(=O)(OC)OC.CO
InChIInChI=1S/C4H9O3P.CH4O/c1-4-8(5,6-2)7-3;1-2/h4H,1H2,2-3H3;2H,1H3
InChIKeyQHQHMUOMXGAOKE-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.22
Rot. Bonds3

About 1-dimethoxyphosphorylethene;methanol

1-dimethoxyphosphorylethene;methanol (PubChem CID 174918241) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is 1-dimethoxyphosphorylethene;methanol.

Molecular Properties

Compound Name1-dimethoxyphosphorylethene;methanol
PubChem CID174918241
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1-dimethoxyphosphorylethene;methanol
SMILESC=CP(=O)(OC)OC.CO
InChIInChI=1S/C4H9O3P.CH4O/c1-4-8(5,6-2)7-3;1-2/h4H,1H2,2-3H3;2H,1H3
InChIKeyQHQHMUOMXGAOKE-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethenyl(methoxy)phosphinic acid
CID 19693452
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817
1-[ethenyl(methoxy)phosphoryl]oxyadamantane
CID 172839250
(1E)-1-chloro-2-dimethoxyphosphorylbuta-1,3-diene
CID 15564798
methyl dihydrogen phosphate;prop-2-enoic acid
CID 159593084
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate
CID 90882270
1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
CID 14641380
(E)-1-dimethoxyphosphoryl-2-methoxyethene
CID 24974578
1-dimethoxyphosphorylbut-3-en-1-one
CID 87462623
(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine
CID 13103932
methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate
CID 15247807

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphorylethene;methanol?
The IUPAC name of 1-dimethoxyphosphorylethene;methanol (CID 174918241) is 1-dimethoxyphosphorylethene;methanol.
What is the SMILES notation for 1-dimethoxyphosphorylethene;methanol?
The canonical SMILES for 1-dimethoxyphosphorylethene;methanol is C=CP(=O)(OC)OC.CO.
What is the InChIKey of 1-dimethoxyphosphorylethene;methanol?
The InChIKey is QHQHMUOMXGAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P.CH4O/c1-4-8(5,6-2)7-3;1-2/h4H,1H2,2-3H3;2H,1H3.
What are the key properties of 1-dimethoxyphosphorylethene;methanol?
1-dimethoxyphosphorylethene;methanol has a molecular weight of 168.13 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylethene;methanol is sourced from PubChem (CID 174918241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).