3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane

C9H20O4Si — CID 56622252

IUPAC3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane
SMILESCC1CCOO[Si](C)(C)OOC1(C)C
InChIInChI=1S/C9H20O4Si/c1-8-6-7-10-12-14(4,5)13-11-9(8,2)3/h8H,6-7H2,1-5H3
InChIKeyKENPPDGIBKTQNW-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.40
Rot. Bonds

About 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane

3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane (PubChem CID 56622252) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane.

Molecular Properties

Compound Name3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane
PubChem CID56622252
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane
SMILESCC1CCOO[Si](C)(C)OOC1(C)C
InChIInChI=1S/C9H20O4Si/c1-8-6-7-10-12-14(4,5)13-11-9(8,2)3/h8H,6-7H2,1-5H3
InChIKeyKENPPDGIBKTQNW-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane?
The IUPAC name of 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane (CID 56622252) is 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane.
What is the SMILES notation for 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane?
The canonical SMILES for 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane is CC1CCOO[Si](C)(C)OOC1(C)C.
What is the InChIKey of 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane?
The InChIKey is KENPPDGIBKTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-8-6-7-10-12-14(4,5)13-11-9(8,2)3/h8H,6-7H2,1-5H3.
What are the key properties of 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane?
3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane has a molecular weight of 220.34 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6,7-pentamethyl-1,2,4,5,3-tetraoxasilonane is sourced from PubChem (CID 56622252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).