dimethyl [(E)-prop-1-enyl] phosphate

C5H11O4P — CID 5370203

IUPACdimethyl [(E)-prop-1-enyl] phosphate
SMILESC/C=C/OP(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-4-5-9-10(6,7-2)8-3/h4-5H,1-3H3/b5-4+
InChIKeyIFICZGJOMDVWLV-SNAWJCMRSA-N
MW166.11 g/mol
LogP1.94
Rot. Bonds4

About dimethyl [(E)-prop-1-enyl] phosphate

dimethyl [(E)-prop-1-enyl] phosphate (PubChem CID 5370203) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is dimethyl [(E)-prop-1-enyl] phosphate.

Molecular Properties

Compound Namedimethyl [(E)-prop-1-enyl] phosphate
PubChem CID5370203
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namedimethyl [(E)-prop-1-enyl] phosphate
SMILESC/C=C/OP(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-4-5-9-10(6,7-2)8-3/h4-5H,1-3H3/b5-4+
InChIKeyIFICZGJOMDVWLV-SNAWJCMRSA-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 [(E)-prop-1-enyl] phosphate?
The IUPAC name of dimethyl [(E)-prop-1-enyl] phosphate (CID 5370203) is dimethyl [(E)-prop-1-enyl] phosphate.
What is the SMILES notation for dimethyl [(E)-prop-1-enyl] phosphate?
The canonical SMILES for dimethyl [(E)-prop-1-enyl] phosphate is C/C=C/OP(=O)(OC)OC.
What is the InChIKey of dimethyl [(E)-prop-1-enyl] phosphate?
The InChIKey is IFICZGJOMDVWLV-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4-5-9-10(6,7-2)8-3/h4-5H,1-3H3/b5-4+.
What are the key properties of dimethyl [(E)-prop-1-enyl] phosphate?
dimethyl [(E)-prop-1-enyl] 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 [(E)-prop-1-enyl] phosphate is sourced from PubChem (CID 5370203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).