(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline

C13H19ClSi — CID 101402318

IUPAC(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline
SMILESCC(C)(C)[Si@]1(Cl)CCCc2ccccc21
InChIInChI=1S/C13H19ClSi/c1-13(2,3)15(14)10-6-8-11-7-4-5-9-12(11)15/h4-5,7,9H,6,8,10H2,1-3H3/t15-/m0/s1
InChIKeyNXOUKAVTEVBRDW-HNNXBMFYSA-N
MW238.83 g/mol
LogP3.82
Rot. Bonds

About (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline

(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline (PubChem CID 101402318) has the molecular formula C13H19ClSi and a molecular weight of 238.83 g/mol. Its IUPAC name is (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline.

Molecular Properties

Compound Name(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline
PubChem CID101402318
Molecular FormulaC13H19ClSi
Molecular Weight238.83 g/mol
Exact Mass238.09
IUPAC Name(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline
SMILESCC(C)(C)[Si@]1(Cl)CCCc2ccccc21
InChIInChI=1S/C13H19ClSi/c1-13(2,3)15(14)10-6-8-11-7-4-5-9-12(11)15/h4-5,7,9H,6,8,10H2,1-3H3/t15-/m0/s1
InChIKeyNXOUKAVTEVBRDW-HNNXBMFYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline?
The IUPAC name of (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline (CID 101402318) is (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline.
What is the SMILES notation for (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline?
The canonical SMILES for (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline is CC(C)(C)[Si@]1(Cl)CCCc2ccccc21.
What is the InChIKey of (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline?
The InChIKey is NXOUKAVTEVBRDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C13H19ClSi/c1-13(2,3)15(14)10-6-8-11-7-4-5-9-12(11)15/h4-5,7,9H,6,8,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline?
(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline has a molecular weight of 238.83 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline is sourced from PubChem (CID 101402318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).