(E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene

C8H17O4P — CID 134986736

IUPAC(E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene
SMILESC/C=C(\C)C(OC)P(=O)(OC)OC
InChIInChI=1S/C8H17O4P/c1-6-7(2)8(10-3)13(9,11-4)12-5/h6,8H,1-5H3/b7-6+
InChIKeyYSPSYNUAZHGXHT-VOTSOKGWSA-N
MW208.19 g/mol
LogP2.41
Rot. Bonds5

About (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene

(E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene (PubChem CID 134986736) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene
PubChem CID134986736
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name(E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene
SMILESC/C=C(\C)C(OC)P(=O)(OC)OC
InChIInChI=1S/C8H17O4P/c1-6-7(2)8(10-3)13(9,11-4)12-5/h6,8H,1-5H3/b7-6+
InChIKeyYSPSYNUAZHGXHT-VOTSOKGWSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.41
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'}

Analyze (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene?
The IUPAC name of (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene (CID 134986736) is (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene is C/C=C(\C)C(OC)P(=O)(OC)OC.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene?
The InChIKey is YSPSYNUAZHGXHT-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17O4P/c1-6-7(2)8(10-3)13(9,11-4)12-5/h6,8H,1-5H3/b7-6+.
What are the key properties of (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene?
(E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene has a molecular weight of 208.19 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-1-methoxy-2-methylbut-2-ene is sourced from PubChem (CID 134986736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).