(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane

C10H18BClSi — CID 12073113

IUPAC(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane
SMILESCC1=CB(Cl)C([Si](C)(C)C)C(C)=C1
InChIInChI=1S/C10H18BClSi/c1-8-6-9(2)10(11(12)7-8)13(3,4)5/h6-7,10H,1-5H3
InChIKeyRAFKTZZJQRQQMD-UHFFFAOYSA-N
MW212.60 g/mol
LogP3.91
Rot. Bonds1

About (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane

(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane (PubChem CID 12073113) has the molecular formula C10H18BClSi and a molecular weight of 212.60 g/mol. Its IUPAC name is (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane
PubChem CID12073113
Molecular FormulaC10H18BClSi
Molecular Weight212.60 g/mol
Exact Mass212.10
IUPAC Name(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane
SMILESCC1=CB(Cl)C([Si](C)(C)C)C(C)=C1
InChIInChI=1S/C10H18BClSi/c1-8-6-9(2)10(11(12)7-8)13(3,4)5/h6-7,10H,1-5H3
InChIKeyRAFKTZZJQRQQMD-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 53.91
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 (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane?
The IUPAC name of (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane (CID 12073113) is (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane.
What is the SMILES notation for (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane?
The canonical SMILES for (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane is CC1=CB(Cl)C([Si](C)(C)C)C(C)=C1.
What is the InChIKey of (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane?
The InChIKey is RAFKTZZJQRQQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BClSi/c1-8-6-9(2)10(11(12)7-8)13(3,4)5/h6-7,10H,1-5H3.
What are the key properties of (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane?
(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane has a molecular weight of 212.60 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane is sourced from PubChem (CID 12073113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).