tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane

C12H26O2Si — CID 11424736

IUPACtert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H]1CO1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-9-7-6-8-11-10-13-11/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyOMSCXAAIDIKSLX-NSHDSACASA-N
MW230.42 g/mol
LogP3.58
Rot. Bonds6

About tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane

tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane (PubChem CID 11424736) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane
PubChem CID11424736
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H]1CO1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-9-7-6-8-11-10-13-11/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyOMSCXAAIDIKSLX-NSHDSACASA-N
XLogP3.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.58
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-[4-[(2S)-oxiran-2-yl]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane (CID 11424736) is tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane is CC(C)(C)[Si](C)(C)OCCCC[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane?
The InChIKey is OMSCXAAIDIKSLX-NSHDSACASA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-9-7-6-8-11-10-13-11/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane?
tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane has a molecular weight of 230.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane is sourced from PubChem (CID 11424736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).