2,2,5,6,6-pentamethyloxasilinane

C9H20OSi — CID 22477154

IUPAC2,2,5,6,6-pentamethyloxasilinane
SMILESCC1CC[Si](C)(C)OC1(C)C
InChIInChI=1S/C9H20OSi/c1-8-6-7-11(4,5)10-9(8,2)3/h8H,6-7H2,1-5H3
InChIKeyTUDBPSJJNMJLDH-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.03
Rot. Bonds

About 2,2,5,6,6-pentamethyloxasilinane

2,2,5,6,6-pentamethyloxasilinane (PubChem CID 22477154) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 2,2,5,6,6-pentamethyloxasilinane.

Molecular Properties

Compound Name2,2,5,6,6-pentamethyloxasilinane
PubChem CID22477154
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2,2,5,6,6-pentamethyloxasilinane
SMILESCC1CC[Si](C)(C)OC1(C)C
InChIInChI=1S/C9H20OSi/c1-8-6-7-11(4,5)10-9(8,2)3/h8H,6-7H2,1-5H3
InChIKeyTUDBPSJJNMJLDH-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,5,6,6-pentamethyloxasilinane?
The IUPAC name of 2,2,5,6,6-pentamethyloxasilinane (CID 22477154) is 2,2,5,6,6-pentamethyloxasilinane.
What is the SMILES notation for 2,2,5,6,6-pentamethyloxasilinane?
The canonical SMILES for 2,2,5,6,6-pentamethyloxasilinane is CC1CC[Si](C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,6,6-pentamethyloxasilinane?
The InChIKey is TUDBPSJJNMJLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-8-6-7-11(4,5)10-9(8,2)3/h8H,6-7H2,1-5H3.
What are the key properties of 2,2,5,6,6-pentamethyloxasilinane?
2,2,5,6,6-pentamethyloxasilinane has a molecular weight of 172.34 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6,6-pentamethyloxasilinane is sourced from PubChem (CID 22477154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).