tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane

C12H24O2Si — CID 24775688

IUPACtert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)C1CO1
InChIInChI=1S/C12H24O2Si/c1-10(11-9-13-11)7-8-14-15(5,6)12(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyQVAYPNMKYSJGKF-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds5

About tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane

tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane (PubChem CID 24775688) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane
PubChem CID24775688
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)C1CO1
InChIInChI=1S/C12H24O2Si/c1-10(11-9-13-11)7-8-14-15(5,6)12(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyQVAYPNMKYSJGKF-UHFFFAOYSA-N
XLogP3.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane
CID 10954921
Tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
CID 73115515
trimethyl-[2-[(2R)-oxiran-2-yl]prop-2-enyl]silane
CID 125487230
tert-butyl-dimethyl-[[(2S,3R)-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
CID 11817043
tert-butyl-dimethyl-[[(2R,3S)-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
CID 101364470
Tert-butyl-dimethyl-[4-(2-methylidenecyclopropyl)oxybutoxy]silane
CID 102037457
trimethyl-[2-[(2S)-oxiran-2-yl]prop-2-enyl]silane
CID 125487229
tert-butyl-dimethyl-[(Z)-2-[(2R)-oxiran-2-yl]prop-1-enyl]silane
CID 132575047

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane (CID 24775688) is tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane is C=C(CCO[Si](C)(C)C(C)(C)C)C1CO1.
What is the InChIKey of tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane?
The InChIKey is QVAYPNMKYSJGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10(11-9-13-11)7-8-14-15(5,6)12(2,3)4/h11H,1,7-9H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane?
tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane is sourced from PubChem (CID 24775688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).