methyl-(2-methylpropoxy)-oxophosphanium

C5H12O2P+ — CID 6335398

IUPACmethyl-(2-methylpropoxy)-oxophosphanium
SMILESCC(C)CO[P+](C)=O
InChIInChI=1S/C5H12O2P/c1-5(2)4-7-8(3)6/h5H,4H2,1-3H3/q+1
InChIKeySSERIKVKSQWTAS-UHFFFAOYSA-N
MW135.12 g/mol
LogP2.03
Rot. Bonds3

About methyl-(2-methylpropoxy)-oxophosphanium

methyl-(2-methylpropoxy)-oxophosphanium (PubChem CID 6335398) has the molecular formula C5H12O2P+ and a molecular weight of 135.12 g/mol. Its IUPAC name is methyl-(2-methylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namemethyl-(2-methylpropoxy)-oxophosphanium
PubChem CID6335398
Molecular FormulaC5H12O2P+
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Namemethyl-(2-methylpropoxy)-oxophosphanium
SMILESCC(C)CO[P+](C)=O
InChIInChI=1S/C5H12O2P/c1-5(2)4-7-8(3)6/h5H,4H2,1-3H3/q+1
InChIKeySSERIKVKSQWTAS-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylpropoxy)-oxophosphanium?
The IUPAC name of methyl-(2-methylpropoxy)-oxophosphanium (CID 6335398) is methyl-(2-methylpropoxy)-oxophosphanium.
What is the SMILES notation for methyl-(2-methylpropoxy)-oxophosphanium?
The canonical SMILES for methyl-(2-methylpropoxy)-oxophosphanium is CC(C)CO[P+](C)=O.
What is the InChIKey of methyl-(2-methylpropoxy)-oxophosphanium?
The InChIKey is SSERIKVKSQWTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2P/c1-5(2)4-7-8(3)6/h5H,4H2,1-3H3/q+1.
What are the key properties of methyl-(2-methylpropoxy)-oxophosphanium?
methyl-(2-methylpropoxy)-oxophosphanium has a molecular weight of 135.12 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylpropoxy)-oxophosphanium is sourced from PubChem (CID 6335398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).