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

C7H13O3P — CID 11309824

IUPAC3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(C)(=O)OCC=C
InChIInChI=1S/C7H13O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyAFJASNIVRUSGMC-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.21
Rot. Bonds6

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

3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene (PubChem CID 11309824) has the molecular formula C7H13O3P and a molecular weight of 176.15 g/mol. Its IUPAC name is 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene
PubChem CID11309824
Molecular FormulaC7H13O3P
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Name3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(C)(=O)OCC=C
InChIInChI=1S/C7H13O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyAFJASNIVRUSGMC-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.21
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-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene (CID 11309824) is 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene is C=CCOP(C)(=O)OCC=C.
What is the InChIKey of 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The InChIKey is AFJASNIVRUSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene has a molecular weight of 176.15 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-enoxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 11309824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).