2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane

C9H20O4Si — CID 13268656

IUPAC2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(OCC)OCCC(C)(C)O1
InChIInChI=1S/C9H20O4Si/c1-5-10-14(11-6-2)12-8-7-9(3,4)13-14/h5-8H2,1-4H3
InChIKeyHXLGFKGGTKYTNQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.71
Rot. Bonds4

About 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane

2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane (PubChem CID 13268656) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane
PubChem CID13268656
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(OCC)OCCC(C)(C)O1
InChIInChI=1S/C9H20O4Si/c1-5-10-14(11-6-2)12-8-7-9(3,4)13-14/h5-8H2,1-4H3
InChIKeyHXLGFKGGTKYTNQ-UHFFFAOYSA-N
XLogP1.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane?
The IUPAC name of 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane (CID 13268656) is 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane?
The canonical SMILES for 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane is CCO[Si]1(OCC)OCCC(C)(C)O1.
What is the InChIKey of 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane?
The InChIKey is HXLGFKGGTKYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-5-10-14(11-6-2)12-8-7-9(3,4)13-14/h5-8H2,1-4H3.
What are the key properties of 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane?
2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane has a molecular weight of 220.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane is sourced from PubChem (CID 13268656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).