tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane

C13H26O2Si — CID 124636126

IUPACtert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC[C@@H]1CO1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-8-6-7-9-12-11-14-12/h6,8,12H,7,9-11H2,1-5H3/b8-6+/t12-/m1/s1
InChIKeyGSTHGUFEIGVSRH-WAFBPQNNSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane

tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane (PubChem CID 124636126) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
PubChem CID124636126
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC[C@@H]1CO1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-8-6-7-9-12-11-14-12/h6,8,12H,7,9-11H2,1-5H3/b8-6+/t12-/m1/s1
InChIKeyGSTHGUFEIGVSRH-WAFBPQNNSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
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'}

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
CID 124629180
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
2-[(E)-oct-3-enyl]oxirane
CID 58906870
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-4-(oxiran-2-yl)butan-2-yl]oxy-dimethylsilane
CID 87093292
bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
CID 87186466
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
4-azidobut-2-enoxy-tert-butyl-dimethylsilane
CID 71412857

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane (CID 124636126) is tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane is CC(C)(C)[Si](C)(C)OC/C=C/CC[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane?
The InChIKey is GSTHGUFEIGVSRH-WAFBPQNNSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-8-6-7-9-12-11-14-12/h6,8,12H,7,9-11H2,1-5H3/b8-6+/t12-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane is sourced from PubChem (CID 124636126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).