4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde

C19H29FO2Si — CID 58381018

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C=O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FO2Si/c1-18(2,3)23(4,5)22-17-10-12-19(14-21,13-11-17)15-6-8-16(20)9-7-15/h6-9,14,17H,10-13H2,1-5H3
InChIKeyUUDHJIMRBWSCAH-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.23
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde (PubChem CID 58381018) has the molecular formula C19H29FO2Si and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde
PubChem CID58381018
Molecular FormulaC19H29FO2Si
Molecular Weight336.52 g/mol
Exact Mass336.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C=O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FO2Si/c1-18(2,3)23(4,5)22-17-10-12-19(14-21,13-11-17)15-6-8-16(20)9-7-15/h6-9,14,17H,10-13H2,1-5H3
InChIKeyUUDHJIMRBWSCAH-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde (CID 58381018) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CCC(C=O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde?
The InChIKey is UUDHJIMRBWSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FO2Si/c1-18(2,3)23(4,5)22-17-10-12-19(14-21,13-11-17)15-6-8-16(20)9-7-15/h6-9,14,17H,10-13H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde has a molecular weight of 336.52 g/mol, XLogP of 5.23, 4 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]oxy-1-(4-fluorophenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 58381018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).