3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene

C9H19O4P — CID 11481447

IUPAC3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene
SMILESC=C(C)COCP(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-5-12-14(10,13-6-2)8-11-7-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyWMJSBPRKDZPLBX-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.80
Rot. Bonds8

About 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene

3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene (PubChem CID 11481447) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene
PubChem CID11481447
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene
SMILESC=C(C)COCP(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-5-12-14(10,13-6-2)8-11-7-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyWMJSBPRKDZPLBX-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.80
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 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene?
The IUPAC name of 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene (CID 11481447) is 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene.
What is the SMILES notation for 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene?
The canonical SMILES for 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene is C=C(C)COCP(=O)(OCC)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene?
The InChIKey is WMJSBPRKDZPLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-5-12-14(10,13-6-2)8-11-7-9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene?
3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene has a molecular weight of 222.22 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethoxy)-2-methylprop-1-ene is sourced from PubChem (CID 11481447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).