4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde

C19H23ClO2Si — CID 42643383

IUPAC4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C=O)cc2)cc1Cl
InChIInChI=1S/C19H23ClO2Si/c1-19(2,3)23(4,5)22-18-11-10-16(12-17(18)20)15-8-6-14(13-21)7-9-15/h6-13H,1-5H3
InChIKeyVKRMYRXFDBVFMS-UHFFFAOYSA-N
MW346.93 g/mol
LogP6.20
Rot. Bonds4

About 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde

4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde (PubChem CID 42643383) has the molecular formula C19H23ClO2Si and a molecular weight of 346.93 g/mol. Its IUPAC name is 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
PubChem CID42643383
Molecular FormulaC19H23ClO2Si
Molecular Weight346.93 g/mol
Exact Mass346.12
IUPAC Name4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C=O)cc2)cc1Cl
InChIInChI=1S/C19H23ClO2Si/c1-19(2,3)23(4,5)22-18-11-10-16(12-17(18)20)15-8-6-14(13-21)7-9-15/h6-13H,1-5H3
InChIKeyVKRMYRXFDBVFMS-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.93
LogP ≤ 56.20
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-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde?
The IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde (CID 42643383) is 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde.
What is the SMILES notation for 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde?
The canonical SMILES for 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C=O)cc2)cc1Cl.
What is the InChIKey of 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde?
The InChIKey is VKRMYRXFDBVFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO2Si/c1-19(2,3)23(4,5)22-18-11-10-16(12-17(18)20)15-8-6-14(13-21)7-9-15/h6-13H,1-5H3.
What are the key properties of 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde?
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde has a molecular weight of 346.93 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde is sourced from PubChem (CID 42643383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).