1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone

C21H34O2Si — CID 10617602

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone
SMILESCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(C2(C)CCCCC2)c1
InChIInChI=1S/C21H34O2Si/c1-16(22)17-11-12-19(23-24(6,7)20(2,3)4)18(15-17)21(5)13-9-8-10-14-21/h11-12,15H,8-10,13-14H2,1-7H3
InChIKeyTWKIFTVMVNVQHJ-UHFFFAOYSA-N
MW346.59 g/mol
LogP6.49
Rot. Bonds4

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone

1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone (PubChem CID 10617602) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone
PubChem CID10617602
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone
SMILESCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(C2(C)CCCCC2)c1
InChIInChI=1S/C21H34O2Si/c1-16(22)17-11-12-19(23-24(6,7)20(2,3)4)18(15-17)21(5)13-9-8-10-14-21/h11-12,15H,8-10,13-14H2,1-7H3
InChIKeyTWKIFTVMVNVQHJ-UHFFFAOYSA-N
XLogP6.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone (CID 10617602) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone is CC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(C2(C)CCCCC2)c1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone?
The InChIKey is TWKIFTVMVNVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-16(22)17-11-12-19(23-24(6,7)20(2,3)4)18(15-17)21(5)13-9-8-10-14-21/h11-12,15H,8-10,13-14H2,1-7H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone?
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone has a molecular weight of 346.59 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone is sourced from PubChem (CID 10617602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).