tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane

C11H23Cl3O2Si2 — CID 101388068

IUPACtert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane
SMILESC=C(O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23Cl3O2Si2/c1-9(10(2)16-18(12,13)14)8-15-17(6,7)11(3,4)5/h9H,2,8H2,1,3-7H3/t9-/m0/s1
InChIKeyNQGGFQVQSWXYPL-VIFPVBQESA-N
MW349.83 g/mol
LogP5.33
Rot. Bonds6

About tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane

tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane (PubChem CID 101388068) has the molecular formula C11H23Cl3O2Si2 and a molecular weight of 349.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane
PubChem CID101388068
Molecular FormulaC11H23Cl3O2Si2
Molecular Weight349.83 g/mol
Exact Mass348.03
IUPAC Nametert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane
SMILESC=C(O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23Cl3O2Si2/c1-9(10(2)16-18(12,13)14)8-15-17(6,7)11(3,4)5/h9H,2,8H2,1,3-7H3/t9-/m0/s1
InChIKeyNQGGFQVQSWXYPL-VIFPVBQESA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(2S)-3-trichlorosilyloxybut-3-en-2-yl]oxysilane
CID 10544794
2,2,5,8,8-Pentamethyl-4-methylidene-3,7-dioxa-2,8-disilanonane
CID 14244225
tert-butyl-dimethyl-[(2R)-3-trichlorosilyloxybut-3-en-2-yl]oxysilane
CID 10640561
tert-butyl-dimethyl-[(E,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane
CID 11639162
trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane
CID 11682893
tert-butyl-dimethyl-[(2S)-2-methyl-3-trimethylsilyloxybut-3-enoxy]silane
CID 11818559
tert-butyl-dimethyl-[(2S)-4-trichlorosilyloxypent-4-en-2-yl]oxysilane
CID 12156213
trichloro-[(4S)-4-tri(propan-2-yl)silyloxypent-1-en-2-yl]oxysilane
CID 101204220
tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane
CID 101204253

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane (CID 101388068) is tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane is C=C(O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane?
The InChIKey is NQGGFQVQSWXYPL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23Cl3O2Si2/c1-9(10(2)16-18(12,13)14)8-15-17(6,7)11(3,4)5/h9H,2,8H2,1,3-7H3/t9-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane?
tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane has a molecular weight of 349.83 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-methyl-3-trichlorosilyloxybut-3-enoxy]silane is sourced from PubChem (CID 101388068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).