(3-tert-butyl-2-chlorophenoxy)-trimethylsilane

C13H21ClOSi — CID 167723087

IUPAC(3-tert-butyl-2-chlorophenoxy)-trimethylsilane
SMILESCC(C)(C)c1cccc(O[Si](C)(C)C)c1Cl
InChIInChI=1S/C13H21ClOSi/c1-13(2,3)10-8-7-9-11(12(10)14)15-16(4,5)6/h7-9H,1-6H3
InChIKeyXLPCTTYSJAMUGS-UHFFFAOYSA-N
MW256.85 g/mol
LogP4.85
Rot. Bonds2

About (3-tert-butyl-2-chlorophenoxy)-trimethylsilane

(3-tert-butyl-2-chlorophenoxy)-trimethylsilane (PubChem CID 167723087) has the molecular formula C13H21ClOSi and a molecular weight of 256.85 g/mol. Its IUPAC name is (3-tert-butyl-2-chlorophenoxy)-trimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2-chlorophenoxy)-trimethylsilane
PubChem CID167723087
Molecular FormulaC13H21ClOSi
Molecular Weight256.85 g/mol
Exact Mass256.11
IUPAC Name(3-tert-butyl-2-chlorophenoxy)-trimethylsilane
SMILESCC(C)(C)c1cccc(O[Si](C)(C)C)c1Cl
InChIInChI=1S/C13H21ClOSi/c1-13(2,3)10-8-7-9-11(12(10)14)15-16(4,5)6/h7-9H,1-6H3
InChIKeyXLPCTTYSJAMUGS-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-tert-butyl-2-chlorophenoxy)-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-(2-methyl-3-trimethylsilyloxyphenoxy)silane
CID 14647908
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
4-[(3-tert-butyl-2-chlorophenoxy)methyl]thiane 1,1-dioxide
CID 167809653
1-tert-butyl-2-chloro-3-isocyanobenzene
CID 166568502
(3-bromo-2-methylphenoxy)-trimethylsilane
CID 167729403
[2-bromo-3-(chloromethyl)phenoxy]-trimethylsilane
CID 167726099
1-(2-tert-butylphenyl)-2,3-dichlorobenzene
CID 67807125
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-chlorophenoxy)-trimethylsilane?
The IUPAC name of (3-tert-butyl-2-chlorophenoxy)-trimethylsilane (CID 167723087) is (3-tert-butyl-2-chlorophenoxy)-trimethylsilane.
What is the SMILES notation for (3-tert-butyl-2-chlorophenoxy)-trimethylsilane?
The canonical SMILES for (3-tert-butyl-2-chlorophenoxy)-trimethylsilane is CC(C)(C)c1cccc(O[Si](C)(C)C)c1Cl.
What is the InChIKey of (3-tert-butyl-2-chlorophenoxy)-trimethylsilane?
The InChIKey is XLPCTTYSJAMUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClOSi/c1-13(2,3)10-8-7-9-11(12(10)14)15-16(4,5)6/h7-9H,1-6H3.
What are the key properties of (3-tert-butyl-2-chlorophenoxy)-trimethylsilane?
(3-tert-butyl-2-chlorophenoxy)-trimethylsilane has a molecular weight of 256.85 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-chlorophenoxy)-trimethylsilane is sourced from PubChem (CID 167723087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).