dimethyl prop-1-en-2-yl phosphate

C5H11O4P — CID 581450

IUPACdimethyl prop-1-en-2-yl phosphate
SMILESC=C(C)OP(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-5(2)9-10(6,7-3)8-4/h1H2,2-4H3
InChIKeyCLUBBNMVLUHMDR-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.94
Rot. Bonds4

About dimethyl prop-1-en-2-yl phosphate

dimethyl prop-1-en-2-yl phosphate (PubChem CID 581450) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is dimethyl prop-1-en-2-yl phosphate.

Molecular Properties

Compound Namedimethyl prop-1-en-2-yl phosphate
PubChem CID581450
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namedimethyl prop-1-en-2-yl phosphate
SMILESC=C(C)OP(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-5(2)9-10(6,7-3)8-4/h1H2,2-4H3
InChIKeyCLUBBNMVLUHMDR-UHFFFAOYSA-N
XLogP1.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl prop-1-en-2-yl phosphate?
The IUPAC name of dimethyl prop-1-en-2-yl phosphate (CID 581450) is dimethyl prop-1-en-2-yl phosphate.
What is the SMILES notation for dimethyl prop-1-en-2-yl phosphate?
The canonical SMILES for dimethyl prop-1-en-2-yl phosphate is C=C(C)OP(=O)(OC)OC.
What is the InChIKey of dimethyl prop-1-en-2-yl phosphate?
The InChIKey is CLUBBNMVLUHMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-5(2)9-10(6,7-3)8-4/h1H2,2-4H3.
What are the key properties of dimethyl prop-1-en-2-yl phosphate?
dimethyl prop-1-en-2-yl phosphate has a molecular weight of 166.11 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl prop-1-en-2-yl phosphate is sourced from PubChem (CID 581450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).