1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole

C10H19ClSi — CID 122385843

IUPAC1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole
SMILESCC1=C(C)C[Si](Cl)(C(C)(C)C)C1
InChIInChI=1S/C10H19ClSi/c1-8-6-12(11,7-9(8)2)10(3,4)5/h6-7H2,1-5H3
InChIKeyLYKPXXSXAZQAAJ-UHFFFAOYSA-N
MW202.80 g/mol
LogP4.32
Rot. Bonds

About 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole

1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole (PubChem CID 122385843) has the molecular formula C10H19ClSi and a molecular weight of 202.80 g/mol. Its IUPAC name is 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole.

Molecular Properties

Compound Name1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole
PubChem CID122385843
Molecular FormulaC10H19ClSi
Molecular Weight202.80 g/mol
Exact Mass202.09
IUPAC Name1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole
SMILESCC1=C(C)C[Si](Cl)(C(C)(C)C)C1
InChIInChI=1S/C10H19ClSi/c1-8-6-12(11,7-9(8)2)10(3,4)5/h6-7H2,1-5H3
InChIKeyLYKPXXSXAZQAAJ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.80
LogP ≤ 54.32
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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Related Compounds

Silacyclopent-3-ene, 1,1-dichloro-3,4-dimethyl-
CID 549085
Trimethyl(3-methylbut-2-en-2-yl)silane
CID 12431540
(2,3-Dimethylbut-2-en-1-yl)(triethyl)silane
CID 13299178
Silacyclopent-3-ene, 1,1,3,4-tetramethyl-
CID 580373
[(1-Chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)-bis(trimethylsilyl)methyl]-trimethylsilane
CID 5247251
Tritert-butyl-(1-chloro-3,4-dimethyl-2,5-dihydrosilol-1-yl)silane
CID 122385845
2,3,7,8-Tetramethyl-5-silaspiro[4.4]nona-2,7-diene
CID 13049558
2,3-Dimethylbut-2-enyl(trimethyl)silane
CID 14269855
Dimethyl-bis(3-methylbut-2-en-2-yl)silane
CID 20654537
Bis(2,3-dimethylbut-2-enyl)-dimethylsilane
CID 20697641
2,3-Dimethylbut-2-enyl(trimethyl)silane;methane
CID 157700616
Methane;trimethyl(3-methylbut-2-en-2-yl)silane
CID 160472661

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole?
The IUPAC name of 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole (CID 122385843) is 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole.
What is the SMILES notation for 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole?
The canonical SMILES for 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole is CC1=C(C)C[Si](Cl)(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole?
The InChIKey is LYKPXXSXAZQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClSi/c1-8-6-12(11,7-9(8)2)10(3,4)5/h6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole?
1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole has a molecular weight of 202.80 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole is sourced from PubChem (CID 122385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).