1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole

C6H10Cl2Si — CID 549085

IUPAC1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole
SMILESCC1=C(C)C[Si](Cl)(Cl)C1
InChIInChI=1S/C6H10Cl2Si/c1-5-3-9(7,8)4-6(5)2/h3-4H2,1-2H3
InChIKeyPTKFFRGWYTUBQL-UHFFFAOYSA-N
MW181.14 g/mol
LogP3.26
Rot. Bonds

About 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole

1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole (PubChem CID 549085) has the molecular formula C6H10Cl2Si and a molecular weight of 181.14 g/mol. Its IUPAC name is 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole.

Molecular Properties

Compound Name1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole
PubChem CID549085
Molecular FormulaC6H10Cl2Si
Molecular Weight181.14 g/mol
Exact Mass179.99
IUPAC Name1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole
SMILESCC1=C(C)C[Si](Cl)(Cl)C1
InChIInChI=1S/C6H10Cl2Si/c1-5-3-9(7,8)4-6(5)2/h3-4H2,1-2H3
InChIKeyPTKFFRGWYTUBQL-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 53.26
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

Trichloro(2,3-dimethylbut-2-en-1-yl)silane
CID 71356064
1,1-Dichloro-3-methyl-1-silacyclo-3-pentene
CID 549430
Dichloro-(2-chloro-3-methylbut-2-enyl)-methylsilane
CID 57227518
CID 13144190
CID 13144190
1,3,4-Trimethyl-1-silanyliacyclopent-3-ene
CID 101418613
1-Tert-butyl-1-chloro-3,4-dimethyl-2,5-dihydrosilole
CID 122385843

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole?
The IUPAC name of 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole (CID 549085) is 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole.
What is the SMILES notation for 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole?
The canonical SMILES for 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole is CC1=C(C)C[Si](Cl)(Cl)C1.
What is the InChIKey of 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole?
The InChIKey is PTKFFRGWYTUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2Si/c1-5-3-9(7,8)4-6(5)2/h3-4H2,1-2H3.
What are the key properties of 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole?
1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole has a molecular weight of 181.14 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3,4-dimethyl-2,5-dihydrosilole is sourced from PubChem (CID 549085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).