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

C2H4O3P+ — CID 154096929

IUPAC4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide
SMILESCC1O[P+](=O)O1
InChIInChI=1S/C2H4O3P/c1-2-4-6(3)5-2/h2H,1H3/q+1
InChIKeySFKBZILPNYQHIV-UHFFFAOYSA-N
MW107.02 g/mol
LogP1.04
Rot. Bonds

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

4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide (PubChem CID 154096929) has the molecular formula C2H4O3P+ and a molecular weight of 107.02 g/mol. Its IUPAC name is 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide.

Molecular Properties

Compound Name4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide
PubChem CID154096929
Molecular FormulaC2H4O3P+
Molecular Weight107.02 g/mol
Exact Mass106.99
IUPAC Name4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide
SMILESCC1O[P+](=O)O1
InChIInChI=1S/C2H4O3P/c1-2-4-6(3)5-2/h2H,1H3/q+1
InChIKeySFKBZILPNYQHIV-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.02
LogP ≤ 51.04
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

4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
CID 6329151
formaldehyde;2,4,6-trimethyl-1,3,5-trioxane
CID 68622312
4-methyltrioxetane
CID 151364853
4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide
CID 173143646
1,3,2-dioxaphospholan-2-ium 2-oxide;methanol
CID 174941889
3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 54523340
4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione
CID 154020948
(2R)-2,5-dimethyl-2,5-dihydrofuran
CID 154537787
CID 175960671
CID 175960671
hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium
CID 22807531
(4R)-4-[(2E,4E)-4-chlorohexa-2,4-dien-2-yl]-1,3,2-dioxaphosphinan-2-ium 2-oxide
CID 170016136
2-methyl-1,3-dioxaspiro[4.4]nonan-4-one
CID 131851932

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide?
The IUPAC name of 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide (CID 154096929) is 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide.
What is the SMILES notation for 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide?
The canonical SMILES for 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide is CC1O[P+](=O)O1.
What is the InChIKey of 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide?
The InChIKey is SFKBZILPNYQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3P/c1-2-4-6(3)5-2/h2H,1H3/q+1.
What are the key properties of 4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide?
4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide has a molecular weight of 107.02 g/mol, XLogP of 1.04, 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-dioxaphosphetan-2-ium 2-oxide is sourced from PubChem (CID 154096929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).