3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene

C9H17O4P — CID 54359648

IUPAC3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(OCC)C(=C)OCC
InChIInChI=1S/C9H17O4P/c1-5-8-13-14(10,12-7-3)9(4)11-6-2/h5H,1,4,6-8H2,2-3H3
InChIKeyULPCSTDXRRSXEH-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.93
Rot. Bonds8

About 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene

3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene (PubChem CID 54359648) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene
PubChem CID54359648
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(OCC)C(=C)OCC
InChIInChI=1S/C9H17O4P/c1-5-8-13-14(10,12-7-3)9(4)11-6-2/h5H,1,4,6-8H2,2-3H3
InChIKeyULPCSTDXRRSXEH-UHFFFAOYSA-N
XLogP2.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-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

Triallyl phosphate
CID 15390
Phosphonic acid, propyl-, diallyl ester
CID 3056462
Diethyl 2-propen-1-yl phosphate
CID 229774
Phosphinic acid, bis(allyloxymethyl)-, ethyl ester
CID 88566
Phosphoric acid, dimethyl 2-propenyl ester
CID 573628
diethyl [(3E)-4-methoxybuta-1,3-dien-2-yl] phosphate
CID 11615604
Diethyl penta-2,3-dien-1-yl phosphate
CID 13215358
[Ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate
CID 14086645
[Prop-2-enoxy(propoxy)phosphoryl] prop-2-enyl propyl phosphate
CID 14086646
[Butoxy(prop-2-enoxy)phosphoryl] butyl prop-2-enyl phosphate
CID 14086647
Diethoxyphosphoryl ethyl prop-2-enyl phosphate
CID 14086656
Dipropoxyphosphoryl prop-2-enyl propyl phosphate
CID 14086657

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene (CID 54359648) is 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(OCC)C(=C)OCC.
What is the InChIKey of 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene?
The InChIKey is ULPCSTDXRRSXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-5-8-13-14(10,12-7-3)9(4)11-6-2/h5H,1,4,6-8H2,2-3H3.
What are the key properties of 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene?
3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene has a molecular weight of 220.20 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(1-ethoxyethenyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 54359648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).