2,2,3-trimethyloxasilepane

C8H18OSi — CID 22966650

IUPAC2,2,3-trimethyloxasilepane
SMILESCC1CCCCO[Si]1(C)C
InChIInChI=1S/C8H18OSi/c1-8-6-4-5-7-9-10(8,2)3/h8H,4-7H2,1-3H3
InChIKeyMZHXBIJRSLAKBH-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.78
Rot. Bonds

About 2,2,3-trimethyloxasilepane

2,2,3-trimethyloxasilepane (PubChem CID 22966650) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 2,2,3-trimethyloxasilepane.

Molecular Properties

Compound Name2,2,3-trimethyloxasilepane
PubChem CID22966650
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name2,2,3-trimethyloxasilepane
SMILESCC1CCCCO[Si]1(C)C
InChIInChI=1S/C8H18OSi/c1-8-6-4-5-7-9-10(8,2)3/h8H,4-7H2,1-3H3
InChIKeyMZHXBIJRSLAKBH-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.78
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 2,2,3-trimethyloxasilepane?
The IUPAC name of 2,2,3-trimethyloxasilepane (CID 22966650) is 2,2,3-trimethyloxasilepane.
What is the SMILES notation for 2,2,3-trimethyloxasilepane?
The canonical SMILES for 2,2,3-trimethyloxasilepane is CC1CCCCO[Si]1(C)C.
What is the InChIKey of 2,2,3-trimethyloxasilepane?
The InChIKey is MZHXBIJRSLAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-8-6-4-5-7-9-10(8,2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2,2,3-trimethyloxasilepane?
2,2,3-trimethyloxasilepane has a molecular weight of 158.32 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyloxasilepane is sourced from PubChem (CID 22966650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).