2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane

C10H22O2Si — CID 71332572

IUPAC2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane
SMILESCC1(C)CCC(C)(C)O[Si](C)(C)O1
InChIInChI=1S/C10H22O2Si/c1-9(2)7-8-10(3,4)12-13(5,6)11-9/h7-8H2,1-6H3
InChIKeyAXNUAIUMIDWEBO-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.07
Rot. Bonds

About 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane

2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane (PubChem CID 71332572) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane.

Molecular Properties

Compound Name2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane
PubChem CID71332572
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane
SMILESCC1(C)CCC(C)(C)O[Si](C)(C)O1
InChIInChI=1S/C10H22O2Si/c1-9(2)7-8-10(3,4)12-13(5,6)11-9/h7-8H2,1-6H3
InChIKeyAXNUAIUMIDWEBO-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane?
The IUPAC name of 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane (CID 71332572) is 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane.
What is the SMILES notation for 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane?
The canonical SMILES for 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane is CC1(C)CCC(C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane?
The InChIKey is AXNUAIUMIDWEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-9(2)7-8-10(3,4)12-13(5,6)11-9/h7-8H2,1-6H3.
What are the key properties of 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane?
2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane has a molecular weight of 202.37 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7-hexamethyl-1,3,2-dioxasilepane is sourced from PubChem (CID 71332572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).