2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C12H28O5Si4 — CID 175187467

IUPAC2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[SiH2]O[SiH](CCC2CCC3OC3C2)O[Si](C)(C)O1
InChIInChI=1S/C12H28O5Si4/c1-20(2)15-18-14-19(16-21(3,4)17-20)8-7-10-5-6-11-12(9-10)13-11/h10-12,19H,5-9,18H2,1-4H3
InChIKeyJKAOGQMDOIBOAB-UHFFFAOYSA-N
MW364.70 g/mol
LogP1.65
Rot. Bonds3

About 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 175187467) has the molecular formula C12H28O5Si4 and a molecular weight of 364.70 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID175187467
Molecular FormulaC12H28O5Si4
Molecular Weight364.70 g/mol
Exact Mass364.10
IUPAC Name2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[SiH2]O[SiH](CCC2CCC3OC3C2)O[Si](C)(C)O1
InChIInChI=1S/C12H28O5Si4/c1-20(2)15-18-14-19(16-21(3,4)17-20)8-7-10-5-6-11-12(9-10)13-11/h10-12,19H,5-9,18H2,1-4H3
InChIKeyJKAOGQMDOIBOAB-UHFFFAOYSA-N
XLogP1.65
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 175187467) is 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[SiH2]O[SiH](CCC2CCC3OC3C2)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is JKAOGQMDOIBOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O5Si4/c1-20(2)15-18-14-19(16-21(3,4)17-20)8-7-10-5-6-11-12(9-10)13-11/h10-12,19H,5-9,18H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 364.70 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 175187467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).