(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane

C13H20Cl2OSi — CID 18347391

IUPAC(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)Cl
InChIInChI=1S/C13H20Cl2OSi/c1-13(2,3)10-7-9(14)8-11(12(10)16-4)17(5,6)15/h7-8H,1-6H3
InChIKeyROHQJQSAUKRQPN-UHFFFAOYSA-N
MW291.29 g/mol
LogP4.30
Rot. Bonds2

About (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane

(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane (PubChem CID 18347391) has the molecular formula C13H20Cl2OSi and a molecular weight of 291.29 g/mol. Its IUPAC name is (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
PubChem CID18347391
Molecular FormulaC13H20Cl2OSi
Molecular Weight291.29 g/mol
Exact Mass290.07
IUPAC Name(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)Cl
InChIInChI=1S/C13H20Cl2OSi/c1-13(2,3)10-7-9(14)8-11(12(10)16-4)17(5,6)15/h7-8H,1-6H3
InChIKeyROHQJQSAUKRQPN-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane?
The IUPAC name of (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane (CID 18347391) is (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane?
The canonical SMILES for (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane is COc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)Cl.
What is the InChIKey of (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane?
The InChIKey is ROHQJQSAUKRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2OSi/c1-13(2,3)10-7-9(14)8-11(12(10)16-4)17(5,6)15/h7-8H,1-6H3.
What are the key properties of (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane?
(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane has a molecular weight of 291.29 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane is sourced from PubChem (CID 18347391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).