tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane

C11H23Cl3O2Si2 — CID 101152846

IUPACtert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane
SMILESC/C=C(\O[Si](Cl)(Cl)Cl)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23Cl3O2Si2/c1-8-10(16-18(12,13)14)9(2)15-17(6,7)11(3,4)5/h8-9H,1-7H3/b10-8-/t9-/m0/s1
InChIKeyLMYDCUQAHMDVSD-CUQRQBARSA-N
MW349.83 g/mol
LogP5.47
Rot. Bonds5

About tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane (PubChem CID 101152846) has the molecular formula C11H23Cl3O2Si2 and a molecular weight of 349.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane
PubChem CID101152846
Molecular FormulaC11H23Cl3O2Si2
Molecular Weight349.83 g/mol
Exact Mass348.03
IUPAC Nametert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane
SMILESC/C=C(\O[Si](Cl)(Cl)Cl)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23Cl3O2Si2/c1-8-10(16-18(12,13)14)9(2)15-17(6,7)11(3,4)5/h8-9H,1-7H3/b10-8-/t9-/m0/s1
InChIKeyLMYDCUQAHMDVSD-CUQRQBARSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.47
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
2,4-Bis(trimethylsilyloxy)-2-pentene
CID 129835977
Tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane
CID 123483555
tert-butyl-dimethyl-[(2R)-3-trichlorosilyloxybut-3-en-2-yl]oxysilane
CID 10640561
tert-butyl-dimethyl-[(Z,2S)-3-trimethylsilyloxypent-3-en-2-yl]oxysilane
CID 11173753
tert-butyl-dimethyl-[(E,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane
CID 11639162
tert-butyl-dimethyl-[(E,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane
CID 11660304
trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane
CID 11682893
tert-butyl-dimethyl-[(Z,2S)-4-trichlorosilyloxyhex-4-en-2-yl]oxysilane
CID 12156215
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-3-olate;titanium(4+);trichloride
CID 100976128
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-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane (CID 101152846) is tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane is C/C=C(\O[Si](Cl)(Cl)Cl)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane?
The InChIKey is LMYDCUQAHMDVSD-CUQRQBARSA-N. The full InChI is InChI=1S/C11H23Cl3O2Si2/c1-8-10(16-18(12,13)14)9(2)15-17(6,7)11(3,4)5/h8-9H,1-7H3/b10-8-/t9-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane has a molecular weight of 349.83 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,2S)-3-trichlorosilyloxypent-3-en-2-yl]oxysilane is sourced from PubChem (CID 101152846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).