2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene

C7H13O3P — CID 87155213

IUPAC2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESC=C(C)OP(C)(=O)OC(=C)C
InChIInChI=1S/C7H13O3P/c1-6(2)9-11(5,8)10-7(3)4/h1,3H2,2,4-5H3
InChIKeyMEZAVNDCKODBFX-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.91
Rot. Bonds4

About 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene

2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene (PubChem CID 87155213) has the molecular formula C7H13O3P and a molecular weight of 176.15 g/mol. Its IUPAC name is 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
PubChem CID87155213
Molecular FormulaC7H13O3P
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Name2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESC=C(C)OP(C)(=O)OC(=C)C
InChIInChI=1S/C7H13O3P/c1-6(2)9-11(5,8)10-7(3)4/h1,3H2,2,4-5H3
InChIKeyMEZAVNDCKODBFX-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene (CID 87155213) is 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene is C=C(C)OP(C)(=O)OC(=C)C.
What is the InChIKey of 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The InChIKey is MEZAVNDCKODBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3P/c1-6(2)9-11(5,8)10-7(3)4/h1,3H2,2,4-5H3.
What are the key properties of 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene has a molecular weight of 176.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 87155213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).