tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane

C18H37ClSi2 — CID 122385845

IUPACtritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane
SMILESCC1=C(C)C[Si](Cl)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C18H37ClSi2/c1-14-12-20(19,13-15(14)2)21(16(3,4)5,17(6,7)8)18(9,10)11/h12-13H2,1-11H3
InChIKeyFNUIENBGGPTWNU-UHFFFAOYSA-N
MW345.12 g/mol
LogP7.45
Rot. Bonds1

About tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane

tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane (PubChem CID 122385845) has the molecular formula C18H37ClSi2 and a molecular weight of 345.12 g/mol. Its IUPAC name is tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane.

Molecular Properties

Compound Nametritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane
PubChem CID122385845
Molecular FormulaC18H37ClSi2
Molecular Weight345.12 g/mol
Exact Mass344.21
IUPAC Nametritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane
SMILESCC1=C(C)C[Si](Cl)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C18H37ClSi2/c1-14-12-20(19,13-15(14)2)21(16(3,4)5,17(6,7)8)18(9,10)11/h12-13H2,1-11H3
InChIKeyFNUIENBGGPTWNU-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.12
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane?
The IUPAC name of tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane (CID 122385845) is tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane.
What is the SMILES notation for tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane?
The canonical SMILES for tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane is CC1=C(C)C[Si](Cl)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1.
What is the InChIKey of tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane?
The InChIKey is FNUIENBGGPTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37ClSi2/c1-14-12-20(19,13-15(14)2)21(16(3,4)5,17(6,7)8)18(9,10)11/h12-13H2,1-11H3.
What are the key properties of tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane?
tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane has a molecular weight of 345.12 g/mol, XLogP of 7.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane is sourced from PubChem (CID 122385845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).