diethoxyphosphorylmethyl prop-2-enyl carbonate

C9H17O6P — CID 23420194

IUPACdiethoxyphosphorylmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCP(=O)(OCC)OCC
InChIInChI=1S/C9H17O6P/c1-4-7-12-9(10)13-8-16(11,14-5-2)15-6-3/h4H,1,5-8H2,2-3H3
InChIKeyUAZOZQPPSOVMTF-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.55
Rot. Bonds8

About diethoxyphosphorylmethyl prop-2-enyl carbonate

diethoxyphosphorylmethyl prop-2-enyl carbonate (PubChem CID 23420194) has the molecular formula C9H17O6P and a molecular weight of 252.20 g/mol. Its IUPAC name is diethoxyphosphorylmethyl prop-2-enyl carbonate.

Molecular Properties

Compound Namediethoxyphosphorylmethyl prop-2-enyl carbonate
PubChem CID23420194
Molecular FormulaC9H17O6P
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Namediethoxyphosphorylmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCP(=O)(OCC)OCC
InChIInChI=1S/C9H17O6P/c1-4-7-12-9(10)13-8-16(11,14-5-2)15-6-3/h4H,1,5-8H2,2-3H3
InChIKeyUAZOZQPPSOVMTF-UHFFFAOYSA-N
XLogP2.55
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) carbonate;triethyl phosphate
CID 174813432
diethoxyphosphorylmethyl propanoate
CID 12709685
bis(prop-2-enyl) carbonate;ethene
CID 87465968
3-diethoxyphosphorylprop-1-ene
CID 573014
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
4-(diethoxyphosphorylmethyl)-5-oxo-5-prop-2-enoxypentanoic acid
CID 118895962
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
2-methylpropyl prop-2-enyl carbonate
CID 6420250
N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
CID 2252018

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethyl prop-2-enyl carbonate?
The IUPAC name of diethoxyphosphorylmethyl prop-2-enyl carbonate (CID 23420194) is diethoxyphosphorylmethyl prop-2-enyl carbonate.
What is the SMILES notation for diethoxyphosphorylmethyl prop-2-enyl carbonate?
The canonical SMILES for diethoxyphosphorylmethyl prop-2-enyl carbonate is C=CCOC(=O)OCP(=O)(OCC)OCC.
What is the InChIKey of diethoxyphosphorylmethyl prop-2-enyl carbonate?
The InChIKey is UAZOZQPPSOVMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O6P/c1-4-7-12-9(10)13-8-16(11,14-5-2)15-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of diethoxyphosphorylmethyl prop-2-enyl carbonate?
diethoxyphosphorylmethyl prop-2-enyl carbonate has a molecular weight of 252.20 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethyl prop-2-enyl carbonate is sourced from PubChem (CID 23420194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).