5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide

C8H17O3P — CID 86196070

IUPAC5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O3P/c1-7(2)12(9)10-5-8(3,4)6-11-12/h7H,5-6H2,1-4H3
InChIKeyBSUXHUOWYNIOJI-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.66
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide

5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 86196070) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID86196070
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O3P/c1-7(2)12(9)10-5-8(3,4)6-11-12/h7H,5-6H2,1-4H3
InChIKeyBSUXHUOWYNIOJI-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.66
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, 5,5-dimethyl-, 2-oxide
CID 6335186
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 2778008
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(1,2-propadienyl)-, 2-oxide
CID 11412811
2-Ethyl-1,3,2-dioxaphosphorinane 2-oxide
CID 14644322
2-Propyl-1,3,2-dioxaphosphorinane 2-oxide
CID 14872332
(1-Methylethyl)-1,3,2-dioxaphosphorinane 2-oxide
CID 14872333
2-Ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892817
5,5-Dimethyl-2-(1-propynyl)-2-oxo-1,3,2-dioxaphosphorinane
CID 11994960
(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
CID 371770
5,5-Dimethyl-2-propyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892818
1-[Chloro(propan-2-yl)phosphoryl]oxy-2,2-dimethylpropane
CID 86069993

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 86196070) is 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide is CC(C)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is BSUXHUOWYNIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-7(2)12(9)10-5-8(3,4)6-11-12/h7H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 192.19 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 86196070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).