4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol

C22H34O4Si — CID 6613420

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol
SMILESCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O
InChIInChI=1S/C22H34O4Si/c1-21(2,3)27(5,6)26-16-17-14-18(20(23)19(15-17)25-4)10-13-22(24)11-8-7-9-12-22/h14-15,23-24H,7-9,11-12,16H2,1-6H3
InChIKeyQFKIIMDVHJSUAH-UHFFFAOYSA-N
MW390.60 g/mol
LogP4.97
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol (PubChem CID 6613420) has the molecular formula C22H34O4Si and a molecular weight of 390.60 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol
PubChem CID6613420
Molecular FormulaC22H34O4Si
Molecular Weight390.60 g/mol
Exact Mass390.22
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol
SMILESCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O
InChIInChI=1S/C22H34O4Si/c1-21(2,3)27(5,6)26-16-17-14-18(20(23)19(15-17)25-4)10-13-22(24)11-8-7-9-12-22/h14-15,23-24H,7-9,11-12,16H2,1-6H3
InChIKeyQFKIIMDVHJSUAH-UHFFFAOYSA-N
XLogP4.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol (CID 6613420) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol is COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol?
The InChIKey is QFKIIMDVHJSUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4Si/c1-21(2,3)27(5,6)26-16-17-14-18(20(23)19(15-17)25-4)10-13-22(24)11-8-7-9-12-22/h14-15,23-24H,7-9,11-12,16H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol has a molecular weight of 390.60 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-(1-hydroxycyclohexyl)ethynyl]-6-methoxyphenol is sourced from PubChem (CID 6613420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).