4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide

C4H8O3P+ — CID 12754322

IUPAC4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCC1CCO[P+](=O)O1
InChIInChI=1S/C4H8O3P/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/q+1
InChIKeyOIVLDHORDASVLT-UHFFFAOYSA-N
MW135.08 g/mol
LogP1.47
Rot. Bonds

About 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide

4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (PubChem CID 12754322) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide.

Molecular Properties

Compound Name4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
PubChem CID12754322
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Name4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCC1CCO[P+](=O)O1
InChIInChI=1S/C4H8O3P/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/q+1
InChIKeyOIVLDHORDASVLT-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O,O-Diisopropyl phosphonate
CID 6327350
2-Methyl-1,3,2-dioxaphosphorinane 2-oxide
CID 397386
1,3,2-Dioxaphosphorinane, 2-chloro-4-methyl-
CID 138736
Phosphorochloridic acid, cyclic 1,3-dimethyltrimethylene ester
CID 112009
2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 141852
1,3,2-Dioxaphosphorinane, 2-methoxy-, 2-oxide
CID 9793856
Isopropyl methyl phosphonate
CID 6453137
4-Methyl-1,3,2-dioxaphosphorinane
CID 16694820
2-Methoxy-4,6-dimethyl-1,3,2-dioxaphosphinane
CID 139069
2,4-Dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12545028
2-Fluoro-4,6-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12729221
2-Fluoro-4-methyl-1,3,2-dioxaphosphinane
CID 12730251

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The IUPAC name of 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (CID 12754322) is 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide.
What is the SMILES notation for 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The canonical SMILES for 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is CC1CCO[P+](=O)O1.
What is the InChIKey of 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The InChIKey is OIVLDHORDASVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3P/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3/q+1.
What are the key properties of 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide has a molecular weight of 135.08 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is sourced from PubChem (CID 12754322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).