5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide

C5H10O3P+ — CID 6335186

IUPAC5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCC1(C)CO[P+](=O)OC1
InChIInChI=1S/C5H10O3P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3/q+1
InChIKeyYTWYMHQAVLOJKT-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.72
Rot. Bonds

About 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide

5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (PubChem CID 6335186) has the molecular formula C5H10O3P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide.

Molecular Properties

Compound Name5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
PubChem CID6335186
Molecular FormulaC5H10O3P+
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Name5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESCC1(C)CO[P+](=O)OC1
InChIInChI=1S/C5H10O3P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3/q+1
InChIKeyYTWYMHQAVLOJKT-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.72
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

1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide
CID 70121
1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-
CID 75508
1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-, 2-oxide
CID 77716
2-Hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinan-2-one
CID 285304
2-Methyl-1,3,2-dioxaphosphorinane 2-oxide
CID 397386
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-
CID 70500
1,3,2-Dioxaphosphorinane, 2-ethoxy-5,5-dimethyl-
CID 70512
1,3,2-Dioxaphosphorinane, 2-methoxy-, 2-oxide
CID 9793856
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide
CID 371769
1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
CID 414926
1,3,2-Dioxaphospholan-2-amine, 5,5-dimethyl-, 2-oxide
CID 544886
2-Chloro-2-thioxo-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 12607644

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The IUPAC name of 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (CID 6335186) is 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide.
What is the SMILES notation for 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The canonical SMILES for 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is CC1(C)CO[P+](=O)OC1.
What is the InChIKey of 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The InChIKey is YTWYMHQAVLOJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3/q+1.
What are the key properties of 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide?
5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide has a molecular weight of 149.11 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is sourced from PubChem (CID 6335186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).