2-methylprop-2-enoxyphosphane

C4H9OP — CID 58051437

IUPAC2-methylprop-2-enoxyphosphane
SMILESC=C(C)COP
InChIInChI=1S/C4H9OP/c1-4(2)3-5-6/h1,3,6H2,2H3
InChIKeyKOLYJTYYPIJOTM-UHFFFAOYSA-N
MW104.09 g/mol
LogP1.37
Rot. Bonds2

About 2-methylprop-2-enoxyphosphane

2-methylprop-2-enoxyphosphane (PubChem CID 58051437) has the molecular formula C4H9OP and a molecular weight of 104.09 g/mol. Its IUPAC name is 2-methylprop-2-enoxyphosphane.

Molecular Properties

Compound Name2-methylprop-2-enoxyphosphane
PubChem CID58051437
Molecular FormulaC4H9OP
Molecular Weight104.09 g/mol
Exact Mass104.04
IUPAC Name2-methylprop-2-enoxyphosphane
SMILESC=C(C)COP
InChIInChI=1S/C4H9OP/c1-4(2)3-5-6/h1,3,6H2,2H3
InChIKeyKOLYJTYYPIJOTM-UHFFFAOYSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.09
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methylprop-2-enoxyphosphane?
The IUPAC name of 2-methylprop-2-enoxyphosphane (CID 58051437) is 2-methylprop-2-enoxyphosphane.
What is the SMILES notation for 2-methylprop-2-enoxyphosphane?
The canonical SMILES for 2-methylprop-2-enoxyphosphane is C=C(C)COP.
What is the InChIKey of 2-methylprop-2-enoxyphosphane?
The InChIKey is KOLYJTYYPIJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OP/c1-4(2)3-5-6/h1,3,6H2,2H3.
What are the key properties of 2-methylprop-2-enoxyphosphane?
2-methylprop-2-enoxyphosphane has a molecular weight of 104.09 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxyphosphane is sourced from PubChem (CID 58051437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).