tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane

C11H24O2Si — CID 11085223

IUPACtert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H]1CO1
InChIInChI=1S/C11H24O2Si/c1-11(2,3)14(4,5)13-8-6-7-10-9-12-10/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyPZHGTFAWXPKVQK-SNVBAGLBSA-N
MW216.40 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane

tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane (PubChem CID 11085223) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane
PubChem CID11085223
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H]1CO1
InChIInChI=1S/C11H24O2Si/c1-11(2,3)14(4,5)13-8-6-7-10-9-12-10/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyPZHGTFAWXPKVQK-SNVBAGLBSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane (CID 11085223) is tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane is CC(C)(C)[Si](C)(C)OCCC[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane?
The InChIKey is PZHGTFAWXPKVQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-11(2,3)14(4,5)13-8-6-7-10-9-12-10/h10H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane?
tert-butyl-dimethyl-[3-[(2R)-oxiran-2-yl]propoxy]silane has a molecular weight of 216.40 g/mol, XLogP of 3.19, 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-[(2R)-oxiran-2-yl]propoxy]silane is sourced from PubChem (CID 11085223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).