3-chloro-5,5-dimethylbenzo[b][1]benzosilole

C14H13ClSi — CID 123627900

IUPAC3-chloro-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C14H13ClSi/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15)9-14(12)16/h3-9H,1-2H3
InChIKeyBQFCXBHLCVANDD-UHFFFAOYSA-N
MW244.80 g/mol
LogP3.14
Rot. Bonds

About 3-chloro-5,5-dimethylbenzo[b][1]benzosilole

3-chloro-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 123627900) has the molecular formula C14H13ClSi and a molecular weight of 244.80 g/mol. Its IUPAC name is 3-chloro-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-chloro-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID123627900
Molecular FormulaC14H13ClSi
Molecular Weight244.80 g/mol
Exact Mass244.05
IUPAC Name3-chloro-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C14H13ClSi/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15)9-14(12)16/h3-9H,1-2H3
InChIKeyBQFCXBHLCVANDD-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.80
LogP ≤ 53.14
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-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 3-chloro-5,5-dimethylbenzo[b][1]benzosilole (CID 123627900) is 3-chloro-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-chloro-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 3-chloro-5,5-dimethylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2ccc(Cl)cc21.
What is the InChIKey of 3-chloro-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is BQFCXBHLCVANDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClSi/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15)9-14(12)16/h3-9H,1-2H3.
What are the key properties of 3-chloro-5,5-dimethylbenzo[b][1]benzosilole?
3-chloro-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 244.80 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 123627900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).