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

C14H28O2Si — CID 11043376

IUPACtert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
SMILESCC[C@H](/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-WACGGTQYSA-N
MW256.46 g/mol
LogP3.99
Rot. Bonds6

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

tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane (PubChem CID 11043376) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
PubChem CID11043376
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
SMILESCC[C@H](/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-WACGGTQYSA-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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Related Compounds

Tert-butyl-dimethyl-(5-methylcyclopent-2-en-1-yl)oxysilane
CID 134878754
tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
CID 134895224
tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
CID 135056068
tert-butyl-dimethyl-[(E)-5-(oxiran-2-yl)pent-2-enoxy]silane
CID 58906890
Tert-butyl-dimethyl-[5-(oxiran-2-yl)pent-2-enoxy]silane
CID 72458961
tert-butyl-[[(1S)-2-methoxycyclopent-3-en-1-yl]methoxy]-dimethylsilane
CID 173833550
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
CID 10515259
tert-butyl-dimethyl-[(Z)-7-[(2R)-oxiran-2-yl]hept-5-enoxy]silane
CID 54672583
tert-butyl-dimethyl-[(1S)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
CID 101397263
tert-butyl-[1-[1-[(E)-3-methoxyprop-1-enyl]cyclopropyl]ethoxy]-dimethylsilane
CID 101719997
tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
CID 124636126
tert-butyl-dimethyl-[(E)-5-[(2S)-oxiran-2-yl]pent-2-enoxy]silane
CID 124636127

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane (CID 11043376) is tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane is CC[C@H](/C=C\CO[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(Z,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
The InChIKey is WECXHSPQWIXQRB-WACGGTQYSA-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,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane?
tert-butyl-dimethyl-[(Z,4R)-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,4R)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane is sourced from PubChem (CID 11043376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).