2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C9H19O3P — CID 14892819

IUPAC2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCCCCP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O3P/c1-4-5-6-13(10)11-7-9(2,3)8-12-13/h4-8H2,1-3H3
InChIKeyXASJIUURDRNOTE-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.05
Rot. Bonds3

About 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 14892819) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID14892819
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCCCCP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O3P/c1-4-5-6-13(10)11-7-9(2,3)8-12-13/h4-8H2,1-3H3
InChIKeyXASJIUURDRNOTE-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.05
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-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 14892819) is 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CCCCP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is XASJIUURDRNOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-4-5-6-13(10)11-7-9(2,3)8-12-13/h4-8H2,1-3H3.
What are the key properties of 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 206.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 14892819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).