2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one

C14H34O6Si4 — CID 156594837

IUPAC2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.O=C1CCCCCO1
InChIInChI=1S/C8H24O4Si4.C6H10O2/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;7-6-4-2-1-3-5-8-6/h1-8H3;1-5H2
InChIKeyCSBJGUIWTUVDLL-UHFFFAOYSA-N
MW410.76 g/mol
LogP3.98
Rot. Bonds

About 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one

2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one (PubChem CID 156594837) has the molecular formula C14H34O6Si4 and a molecular weight of 410.76 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one
PubChem CID156594837
Molecular FormulaC14H34O6Si4
Molecular Weight410.76 g/mol
Exact Mass410.14
IUPAC Name2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.O=C1CCCCCO1
InChIInChI=1S/C8H24O4Si4.C6H10O2/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;7-6-4-2-1-3-5-8-6/h1-8H3;1-5H2
InChIKeyCSBJGUIWTUVDLL-UHFFFAOYSA-N
XLogP3.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one?
The IUPAC name of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one (CID 156594837) is 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one?
The canonical SMILES for 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one is C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.O=C1CCCCCO1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one?
The InChIKey is CSBJGUIWTUVDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H24O4Si4.C6H10O2/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;7-6-4-2-1-3-5-8-6/h1-8H3;1-5H2.
What are the key properties of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one?
2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one has a molecular weight of 410.76 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;oxepan-2-one is sourced from PubChem (CID 156594837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).