tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane

C13H21ClOSi — CID 10777512

IUPACtert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl
InChIInChI=1S/C13H21ClOSi/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-9H,1-6H3
InChIKeyVYYHAUWKROQSHK-UHFFFAOYSA-N
MW256.85 g/mol
LogP5.03
Rot. Bonds2

About tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane

tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane (PubChem CID 10777512) has the molecular formula C13H21ClOSi and a molecular weight of 256.85 g/mol. Its IUPAC name is tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
PubChem CID10777512
Molecular FormulaC13H21ClOSi
Molecular Weight256.85 g/mol
Exact Mass256.11
IUPAC Nametert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl
InChIInChI=1S/C13H21ClOSi/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-9H,1-6H3
InChIKeyVYYHAUWKROQSHK-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.85
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-methylphenoxy)-trimethylsilane
CID 13432543
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
CID 10801667
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylbenzonitrile
CID 134847052
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
CID 11168019
5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol
CID 10663923
tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
CID 125115821
2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-3-methylbenzoic acid
CID 167726128
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
CID 53360376
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane (CID 10777512) is tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane is Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl.
What is the InChIKey of tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane?
The InChIKey is VYYHAUWKROQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClOSi/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-9H,1-6H3.
What are the key properties of tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane?
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane has a molecular weight of 256.85 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane is sourced from PubChem (CID 10777512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).