2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane

C11H25O5P — CID 23413172

IUPAC2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane
SMILESCCOP1(OCC)(OCC)OCC(C)(C)CO1
InChIInChI=1S/C11H25O5P/c1-6-12-17(13-7-2,14-8-3)15-9-11(4,5)10-16-17/h6-10H2,1-5H3
InChIKeyZXGJVKUSCZBTBF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.30
Rot. Bonds6

About 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane

2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane (PubChem CID 23413172) has the molecular formula C11H25O5P and a molecular weight of 268.29 g/mol. Its IUPAC name is 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane
PubChem CID23413172
Molecular FormulaC11H25O5P
Molecular Weight268.29 g/mol
Exact Mass268.14
IUPAC Name2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane
SMILESCCOP1(OCC)(OCC)OCC(C)(C)CO1
InChIInChI=1S/C11H25O5P/c1-6-12-17(13-7-2,14-8-3)15-9-11(4,5)10-16-17/h6-10H2,1-5H3
InChIKeyZXGJVKUSCZBTBF-UHFFFAOYSA-N
XLogP3.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane (CID 23413172) is 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane is CCOP1(OCC)(OCC)OCC(C)(C)CO1.
What is the InChIKey of 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane?
The InChIKey is ZXGJVKUSCZBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O5P/c1-6-12-17(13-7-2,14-8-3)15-9-11(4,5)10-16-17/h6-10H2,1-5H3.
What are the key properties of 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane?
2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane has a molecular weight of 268.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triethoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 23413172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).