1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene

C10H17O3P — CID 54356130

IUPAC1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene
SMILESC=CCOP(=O)(C=C(C)C)OCC=C
InChIInChI=1S/C10H17O3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyUJFGNYQZEFLCTP-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.51
Rot. Bonds7

About 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene

1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene (PubChem CID 54356130) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene.

Molecular Properties

Compound Name1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene
PubChem CID54356130
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene
SMILESC=CCOP(=O)(C=C(C)C)OCC=C
InChIInChI=1S/C10H17O3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyUJFGNYQZEFLCTP-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.51
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 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene?
The IUPAC name of 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene (CID 54356130) is 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene.
What is the SMILES notation for 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene?
The canonical SMILES for 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene is C=CCOP(=O)(C=C(C)C)OCC=C.
What is the InChIKey of 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene?
The InChIKey is UJFGNYQZEFLCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h5-6,9H,1-2,7-8H2,3-4H3.
What are the key properties of 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene?
1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene has a molecular weight of 216.22 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(prop-2-enoxy)phosphoryl-2-methylprop-1-ene is sourced from PubChem (CID 54356130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).