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

C8H15O4P — CID 54367304

IUPAC3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(OC)C(=C)OCC
InChIInChI=1S/C8H15O4P/c1-5-7-12-13(9,10-4)8(3)11-6-2/h5H,1,3,6-7H2,2,4H3
InChIKeyUQRCIQQAQQMLIB-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.54
Rot. Bonds7

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

3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene (PubChem CID 54367304) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene
PubChem CID54367304
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(OC)C(=C)OCC
InChIInChI=1S/C8H15O4P/c1-5-7-12-13(9,10-4)8(3)11-6-2/h5H,1,3,6-7H2,2,4H3
InChIKeyUQRCIQQAQQMLIB-UHFFFAOYSA-N
XLogP2.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene (CID 54367304) is 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(OC)C(=C)OCC.
What is the InChIKey of 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene?
The InChIKey is UQRCIQQAQQMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-5-7-12-13(9,10-4)8(3)11-6-2/h5H,1,3,6-7H2,2,4H3.
What are the key properties of 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene?
3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene has a molecular weight of 206.18 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethoxyethenyl(methoxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 54367304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).