(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene

C9H19O4P — CID 122205508

IUPAC(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene
SMILESCCOP(=O)(C/C(C)=C/OC)OCC
InChIInChI=1S/C9H19O4P/c1-5-12-14(10,13-6-2)8-9(3)7-11-4/h7H,5-6,8H2,1-4H3/b9-7+
InChIKeyHSRIRWLZJBCEIZ-VQHVLOKHSA-N
MW222.22 g/mol
LogP2.80
Rot. Bonds7

About (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene

(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene (PubChem CID 122205508) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene
PubChem CID122205508
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene
SMILESCCOP(=O)(C/C(C)=C/OC)OCC
InChIInChI=1S/C9H19O4P/c1-5-12-14(10,13-6-2)8-9(3)7-11-4/h7H,5-6,8H2,1-4H3/b9-7+
InChIKeyHSRIRWLZJBCEIZ-VQHVLOKHSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

Diethyl (2-methylallyl)phosphonate
CID 11008747
Diethyl 3-methyl-1,2-butadienylphosphonate
CID 380886
Diethyl (2-methylprop-1-en-1-yl)phosphonate
CID 13814071
1-[Butoxy(2-methylprop-1-enyl)phosphoryl]oxybutane
CID 11172694
(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 12586022
[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] diethyl phosphate
CID 13144832
[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate
CID 13144833
(Z)-1-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 13172413
3,3-Bis(diethoxyphosphoryl)-2-methylprop-1-ene
CID 85686324
(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 100931501
Diisopropyl-(3-ethoxy-2-methyl-2-propenyl)phosphonate
CID 129819627
Diethyl 2-methyl-1-propenyl phosphate
CID 129878546

Frequently Asked Questions

What is the IUPAC name of (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene?
The IUPAC name of (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene (CID 122205508) is (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene.
What is the SMILES notation for (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene?
The canonical SMILES for (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene is CCOP(=O)(C/C(C)=C/OC)OCC.
What is the InChIKey of (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene?
The InChIKey is HSRIRWLZJBCEIZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H19O4P/c1-5-12-14(10,13-6-2)8-9(3)7-11-4/h7H,5-6,8H2,1-4H3/b9-7+.
What are the key properties of (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene?
(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene has a molecular weight of 222.22 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene is sourced from PubChem (CID 122205508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).