tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane

C14H28O2Si — CID 134895224

IUPACtert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
SMILESCCC(/C=C\CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C14H28O2Si/c1-7-12(13-11-15-13)9-8-10-16-17(5,6)14(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3/b9-8-/t12?,13-/m1/s1
InChIKeyWECXHSPQWIXQRB-LMROZPDVSA-N
MW256.46 g/mol
LogP3.99
Rot. Bonds6

About tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane

tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane (PubChem CID 134895224) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
PubChem CID134895224
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
SMILESCCC(/C=C\CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C14H28O2Si/c1-7-12(13-11-15-13)9-8-10-16-17(5,6)14(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3/b9-8-/t12?,13-/m1/s1
InChIKeyWECXHSPQWIXQRB-LMROZPDVSA-N
XLogP3.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane (CID 134895224) is tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane is CCC(/C=C\CO[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
The InChIKey is WECXHSPQWIXQRB-LMROZPDVSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-12(13-11-15-13)9-8-10-16-17(5,6)14(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3/b9-8-/t12?,13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane has a molecular weight of 256.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane is sourced from PubChem (CID 134895224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).