dimethyl prop-2-enyl phosphate

C5H11O4P — CID 573628

IUPACdimethyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-4-5-9-10(6,7-2)8-3/h4H,1,5H2,2-3H3
InChIKeyFEYQDRMHAQVZGE-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.59
Rot. Bonds5

About dimethyl prop-2-enyl phosphate

dimethyl prop-2-enyl phosphate (PubChem CID 573628) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is dimethyl prop-2-enyl phosphate.

Molecular Properties

Compound Namedimethyl prop-2-enyl phosphate
PubChem CID573628
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namedimethyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-4-5-9-10(6,7-2)8-3/h4H,1,5H2,2-3H3
InChIKeyFEYQDRMHAQVZGE-UHFFFAOYSA-N
XLogP1.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl prop-2-enyl phosphate?
The IUPAC name of dimethyl prop-2-enyl phosphate (CID 573628) is dimethyl prop-2-enyl phosphate.
What is the SMILES notation for dimethyl prop-2-enyl phosphate?
The canonical SMILES for dimethyl prop-2-enyl phosphate is C=CCOP(=O)(OC)OC.
What is the InChIKey of dimethyl prop-2-enyl phosphate?
The InChIKey is FEYQDRMHAQVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4-5-9-10(6,7-2)8-3/h4H,1,5H2,2-3H3.
What are the key properties of dimethyl prop-2-enyl phosphate?
dimethyl prop-2-enyl phosphate has a molecular weight of 166.11 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl prop-2-enyl phosphate is sourced from PubChem (CID 573628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).