methyl-oxo-propan-2-yloxyphosphanium

C4H10O2P+ — CID 11170959

IUPACmethyl-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](C)=O
InChIInChI=1S/C4H10O2P/c1-4(2)6-7(3)5/h4H,1-3H3/q+1
InChIKeyIBUAXOKZMCJNOS-UHFFFAOYSA-N
MW121.10 g/mol
LogP1.78
Rot. Bonds2

About methyl-oxo-propan-2-yloxyphosphanium

methyl-oxo-propan-2-yloxyphosphanium (PubChem CID 11170959) has the molecular formula C4H10O2P+ and a molecular weight of 121.10 g/mol. Its IUPAC name is methyl-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Namemethyl-oxo-propan-2-yloxyphosphanium
PubChem CID11170959
Molecular FormulaC4H10O2P+
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Namemethyl-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](C)=O
InChIInChI=1S/C4H10O2P/c1-4(2)6-7(3)5/h4H,1-3H3/q+1
InChIKeyIBUAXOKZMCJNOS-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Sarin
CID 7871
Tetraisopropyl methylenediphosphonate
CID 74266
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
Ethylsarin
CID 65566
Diethyl methylphosphonate
CID 12685
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-propan-2-yloxyphosphanium?
The IUPAC name of methyl-oxo-propan-2-yloxyphosphanium (CID 11170959) is methyl-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for methyl-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for methyl-oxo-propan-2-yloxyphosphanium is CC(C)O[P+](C)=O.
What is the InChIKey of methyl-oxo-propan-2-yloxyphosphanium?
The InChIKey is IBUAXOKZMCJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2P/c1-4(2)6-7(3)5/h4H,1-3H3/q+1.
What are the key properties of methyl-oxo-propan-2-yloxyphosphanium?
methyl-oxo-propan-2-yloxyphosphanium has a molecular weight of 121.10 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 11170959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).