2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C15H44O8Si8 — CID 18967229

IUPAC2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C15H44O8Si8/c1-24(2)16-26(5,6)20-30(13,21-27(7,8)17-24)15-31(14)22-28(9,10)18-25(3,4)19-29(11,12)23-31/h15H2,1-14H3
InChIKeyDJPWYZAKSNTQSZ-UHFFFAOYSA-N
MW577.20 g/mol
LogP5.04
Rot. Bonds2

About 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 18967229) has the molecular formula C15H44O8Si8 and a molecular weight of 577.20 g/mol. Its IUPAC name is 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID18967229
Molecular FormulaC15H44O8Si8
Molecular Weight577.20 g/mol
Exact Mass576.12
IUPAC Name2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C15H44O8Si8/c1-24(2)16-26(5,6)20-30(13,21-27(7,8)17-24)15-31(14)22-28(9,10)18-25(3,4)19-29(11,12)23-31/h15H2,1-14H3
InChIKeyDJPWYZAKSNTQSZ-UHFFFAOYSA-N
XLogP5.04
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.20
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 18967229) is 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C)O[Si](C)(C[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1.
What is the InChIKey of 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is DJPWYZAKSNTQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H44O8Si8/c1-24(2)16-26(5,6)20-30(13,21-27(7,8)17-24)15-31(14)22-28(9,10)18-25(3,4)19-29(11,12)23-31/h15H2,1-14H3.
What are the key properties of 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 577.20 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 18967229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).