3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene

C9H15O3P — CID 520701

IUPAC3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(CC=C)OCC=C
InChIInChI=1S/C9H15O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-6H,1-3,7-9H2
InChIKeyOEZDKAYURQJVOD-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.77
Rot. Bonds8

About 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene

3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene (PubChem CID 520701) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene
PubChem CID520701
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(CC=C)OCC=C
InChIInChI=1S/C9H15O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-6H,1-3,7-9H2
InChIKeyOEZDKAYURQJVOD-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene (CID 520701) is 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(CC=C)OCC=C.
What is the InChIKey of 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene?
The InChIKey is OEZDKAYURQJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-6H,1-3,7-9H2.
What are the key properties of 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene?
3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene has a molecular weight of 202.19 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[prop-2-enoxy(prop-2-enyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 520701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).