3-chloro-1,1-dimethyl-2,5-dihydrosilole

C6H11ClSi — CID 19090319

IUPAC3-chloro-1,1-dimethyl-2,5-dihydrosilole
SMILESC[Si]1(C)CC=C(Cl)C1
InChIInChI=1S/C6H11ClSi/c1-8(2)4-3-6(7)5-8/h3H,4-5H2,1-2H3
InChIKeyVZESRIAWLDAHCE-UHFFFAOYSA-N
MW146.69 g/mol
LogP2.83
Rot. Bonds

About 3-chloro-1,1-dimethyl-2,5-dihydrosilole

3-chloro-1,1-dimethyl-2,5-dihydrosilole (PubChem CID 19090319) has the molecular formula C6H11ClSi and a molecular weight of 146.69 g/mol. Its IUPAC name is 3-chloro-1,1-dimethyl-2,5-dihydrosilole.

Molecular Properties

Compound Name3-chloro-1,1-dimethyl-2,5-dihydrosilole
PubChem CID19090319
Molecular FormulaC6H11ClSi
Molecular Weight146.69 g/mol
Exact Mass146.03
IUPAC Name3-chloro-1,1-dimethyl-2,5-dihydrosilole
SMILESC[Si]1(C)CC=C(Cl)C1
InChIInChI=1S/C6H11ClSi/c1-8(2)4-3-6(7)5-8/h3H,4-5H2,1-2H3
InChIKeyVZESRIAWLDAHCE-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.69
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1-dimethyl-2,5-dihydrosilole?
The IUPAC name of 3-chloro-1,1-dimethyl-2,5-dihydrosilole (CID 19090319) is 3-chloro-1,1-dimethyl-2,5-dihydrosilole.
What is the SMILES notation for 3-chloro-1,1-dimethyl-2,5-dihydrosilole?
The canonical SMILES for 3-chloro-1,1-dimethyl-2,5-dihydrosilole is C[Si]1(C)CC=C(Cl)C1.
What is the InChIKey of 3-chloro-1,1-dimethyl-2,5-dihydrosilole?
The InChIKey is VZESRIAWLDAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClSi/c1-8(2)4-3-6(7)5-8/h3H,4-5H2,1-2H3.
What are the key properties of 3-chloro-1,1-dimethyl-2,5-dihydrosilole?
3-chloro-1,1-dimethyl-2,5-dihydrosilole has a molecular weight of 146.69 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1-dimethyl-2,5-dihydrosilole is sourced from PubChem (CID 19090319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).