tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane

C12H25Cl3O2Si2 — CID 101204253

IUPACtert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane
SMILESC/C=C(\O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25Cl3O2Si2/c1-8-11(17-19(13,14)15)10(2)9-16-18(6,7)12(3,4)5/h8,10H,9H2,1-7H3/b11-8-/t10-/m0/s1
InChIKeyVMVNZJMCGKXUOF-DFYQSJSGSA-N
MW363.86 g/mol
LogP5.72
Rot. Bonds6

About tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane

tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane (PubChem CID 101204253) has the molecular formula C12H25Cl3O2Si2 and a molecular weight of 363.86 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane
PubChem CID101204253
Molecular FormulaC12H25Cl3O2Si2
Molecular Weight363.86 g/mol
Exact Mass362.05
IUPAC Nametert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane
SMILESC/C=C(\O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25Cl3O2Si2/c1-8-11(17-19(13,14)15)10(2)9-16-18(6,7)12(3,4)5/h8,10H,9H2,1-7H3/b11-8-/t10-/m0/s1
InChIKeyVMVNZJMCGKXUOF-DFYQSJSGSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.86
LogP ≤ 55.72
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane (CID 101204253) is tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane is C/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-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane?
The InChIKey is VMVNZJMCGKXUOF-DFYQSJSGSA-N. The full InChI is InChI=1S/C12H25Cl3O2Si2/c1-8-11(17-19(13,14)15)10(2)9-16-18(6,7)12(3,4)5/h8,10H,9H2,1-7H3/b11-8-/t10-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane?
tert-butyl-dimethyl-[(Z,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane has a molecular weight of 363.86 g/mol, XLogP of 5.72, 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,2S)-2-methyl-3-trichlorosilyloxypent-3-enoxy]silane is sourced from PubChem (CID 101204253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).