2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide

C6H13O3P — CID 14872333

IUPAC2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC(C)P1(=O)OCCCO1
InChIInChI=1S/C6H13O3P/c1-6(2)10(7)8-4-3-5-9-10/h6H,3-5H2,1-2H3
InChIKeyNQXBDGRDRMYYLA-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.02
Rot. Bonds1

About 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 14872333) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID14872333
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC(C)P1(=O)OCCCO1
InChIInChI=1S/C6H13O3P/c1-6(2)10(7)8-4-3-5-9-10/h6H,3-5H2,1-2H3
InChIKeyNQXBDGRDRMYYLA-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 52.02
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-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 14872333) is 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide is CC(C)P1(=O)OCCCO1.
What is the InChIKey of 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is NQXBDGRDRMYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-6(2)10(7)8-4-3-5-9-10/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 164.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 14872333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).