[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone

C21H32F2O2Si — CID 90041710

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone
SMILESCC1(C(=O)c2c(F)cccc2F)CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H32F2O2Si/c1-20(2,3)26(5,6)25-14-15-10-12-21(4,13-11-15)19(24)18-16(22)8-7-9-17(18)23/h7-9,15H,10-14H2,1-6H3
InChIKeyZLAODNIRCVOMGU-UHFFFAOYSA-N
MW382.57 g/mol
LogP6.37
Rot. Bonds5

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone (PubChem CID 90041710) has the molecular formula C21H32F2O2Si and a molecular weight of 382.57 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone
PubChem CID90041710
Molecular FormulaC21H32F2O2Si
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone
SMILESCC1(C(=O)c2c(F)cccc2F)CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H32F2O2Si/c1-20(2,3)26(5,6)25-14-15-10-12-21(4,13-11-15)19(24)18-16(22)8-7-9-17(18)23/h7-9,15H,10-14H2,1-6H3
InChIKeyZLAODNIRCVOMGU-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.37
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 [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone (CID 90041710) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone is CC1(C(=O)c2c(F)cccc2F)CCC(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone?
The InChIKey is ZLAODNIRCVOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F2O2Si/c1-20(2,3)26(5,6)25-14-15-10-12-21(4,13-11-15)19(24)18-16(22)8-7-9-17(18)23/h7-9,15H,10-14H2,1-6H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone has a molecular weight of 382.57 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 90041710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).