trimethyl-[1-(oxiran-2-yl)butoxy]silane

C9H20O2Si — CID 87853116

IUPACtrimethyl-[1-(oxiran-2-yl)butoxy]silane
SMILESCCCC(O[Si](C)(C)C)C1CO1
InChIInChI=1S/C9H20O2Si/c1-5-6-8(9-7-10-9)11-12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyXKVDYNCPQIBIPI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.41
Rot. Bonds5

About trimethyl-[1-(oxiran-2-yl)butoxy]silane

trimethyl-[1-(oxiran-2-yl)butoxy]silane (PubChem CID 87853116) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is trimethyl-[1-(oxiran-2-yl)butoxy]silane.

Molecular Properties

Compound Nametrimethyl-[1-(oxiran-2-yl)butoxy]silane
PubChem CID87853116
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nametrimethyl-[1-(oxiran-2-yl)butoxy]silane
SMILESCCCC(O[Si](C)(C)C)C1CO1
InChIInChI=1S/C9H20O2Si/c1-5-6-8(9-7-10-9)11-12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyXKVDYNCPQIBIPI-UHFFFAOYSA-N
XLogP2.41
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(oxiran-2-yl)butoxy]silane?
The IUPAC name of trimethyl-[1-(oxiran-2-yl)butoxy]silane (CID 87853116) is trimethyl-[1-(oxiran-2-yl)butoxy]silane.
What is the SMILES notation for trimethyl-[1-(oxiran-2-yl)butoxy]silane?
The canonical SMILES for trimethyl-[1-(oxiran-2-yl)butoxy]silane is CCCC(O[Si](C)(C)C)C1CO1.
What is the InChIKey of trimethyl-[1-(oxiran-2-yl)butoxy]silane?
The InChIKey is XKVDYNCPQIBIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-8(9-7-10-9)11-12(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of trimethyl-[1-(oxiran-2-yl)butoxy]silane?
trimethyl-[1-(oxiran-2-yl)butoxy]silane has a molecular weight of 188.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(oxiran-2-yl)butoxy]silane is sourced from PubChem (CID 87853116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).