2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide

C5H11O3P — CID 165093317

IUPAC2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide
SMILESCC(C)(C)P1(=O)OCO1
InChIInChI=1S/C5H11O3P/c1-5(2,3)9(6)7-4-8-9/h4H2,1-3H3
InChIKeyXBVAQXANPRKAAY-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.98
Rot. Bonds

About 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide

2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide (PubChem CID 165093317) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide.

Molecular Properties

Compound Name2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide
PubChem CID165093317
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide
SMILESCC(C)(C)P1(=O)OCO1
InChIInChI=1S/C5H11O3P/c1-5(2,3)9(6)7-4-8-9/h4H2,1-3H3
InChIKeyXBVAQXANPRKAAY-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide?
The IUPAC name of 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide (CID 165093317) is 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide.
What is the SMILES notation for 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide?
The canonical SMILES for 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide is CC(C)(C)P1(=O)OCO1.
What is the InChIKey of 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide?
The InChIKey is XBVAQXANPRKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-5(2,3)9(6)7-4-8-9/h4H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide?
2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide has a molecular weight of 150.11 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide is sourced from PubChem (CID 165093317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).