4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide

C6H12O3P+ — CID 6329151

IUPAC4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCC1CC(C)(C)O[P+](=O)O1
InChIInChI=1S/C6H12O3P/c1-5-4-6(2,3)9-10(7)8-5/h5H,4H2,1-3H3/q+1
InChIKeyGRIFFTZQLMEWLI-UHFFFAOYSA-N
MW163.13 g/mol
LogP2.25
Rot. Bonds

About 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide

4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (PubChem CID 6329151) has the molecular formula C6H12O3P+ and a molecular weight of 163.13 g/mol. Its IUPAC name is 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide.

Molecular Properties

Compound Name4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
PubChem CID6329151
Molecular FormulaC6H12O3P+
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCC1CC(C)(C)O[P+](=O)O1
InChIInChI=1S/C6H12O3P/c1-5-4-6(2,3)9-10(7)8-5/h5H,4H2,1-3H3/q+1
InChIKeyGRIFFTZQLMEWLI-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 52.25
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-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide
CID 154096929
2,4,4,8,10,10-hexamethyl-1,5,7,11-tetraoxa-6-silaspiro[5.5]undecane
CID 13268664
2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261982
2,4,4,6-tetramethyl-1,3,2-dioxaborinane
CID 537474
CID 153346333
CID 153346333
3,5,5-trimethyloxolane-2-carbaldehyde
CID 20674729
2,4,4,8,8,9,10,10-octamethyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 70638396
(6S)-2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 99779837
4,6,6-trimethyloxazinane
CID 144764543
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-enyl)-1,3,2-dioxaborinane
CID 172846490
6-methyl-2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-ol
CID 53470542

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The IUPAC name of 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (CID 6329151) is 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide.
What is the SMILES notation for 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The canonical SMILES for 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is CC1CC(C)(C)O[P+](=O)O1.
What is the InChIKey of 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The InChIKey is GRIFFTZQLMEWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P/c1-5-4-6(2,3)9-10(7)8-5/h5H,4H2,1-3H3/q+1.
What are the key properties of 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide has a molecular weight of 163.13 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is sourced from PubChem (CID 6329151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).