2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde

C19H24O3Si — CID 87211698

IUPAC2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde
SMILESCc1cccc(C)c1OCc1cc(O[Si](C)(C)C)ccc1C=O
InChIInChI=1S/C19H24O3Si/c1-14-7-6-8-15(2)19(14)21-13-17-11-18(22-23(3,4)5)10-9-16(17)12-20/h6-12H,13H2,1-5H3
InChIKeyNULNJUBPBKXSPB-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.91
Rot. Bonds6

About 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde

2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde (PubChem CID 87211698) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde.

Molecular Properties

Compound Name2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde
PubChem CID87211698
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde
SMILESCc1cccc(C)c1OCc1cc(O[Si](C)(C)C)ccc1C=O
InChIInChI=1S/C19H24O3Si/c1-14-7-6-8-15(2)19(14)21-13-17-11-18(22-23(3,4)5)10-9-16(17)12-20/h6-12H,13H2,1-5H3
InChIKeyNULNJUBPBKXSPB-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cra 13
CID 9799417
6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
CID 10682241
4-Methoxy-1-naphthaldehyde
CID 85217
1-{4-[(2-Methylphenyl)methoxy]phenyl}ethan-1-one
CID 5200300
1-(4-((3-Methylphenyl)methoxy)phenyl)ethan-1-one
CID 5200303
2-(3,5-Dimethylphenoxy)benzaldehyde
CID 1490252
3-[(3-Methylphenyl)methoxy]benzaldehyde
CID 3778700
2-Ethoxynaphthalene-1-carbaldehyde
CID 88099
2'-Methoxy-biphenyl-2-carbaldehyde
CID 602528
2,3-Dimethyl-p-anisaldehyde
CID 596058
4-Methoxy-2,3,6-trimethylbenzaldehyde
CID 824142
3-(4-tert-Butylphenoxy)benzaldehyde
CID 94653

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde?
The IUPAC name of 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde (CID 87211698) is 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde.
What is the SMILES notation for 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde?
The canonical SMILES for 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde is Cc1cccc(C)c1OCc1cc(O[Si](C)(C)C)ccc1C=O.
What is the InChIKey of 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde?
The InChIKey is NULNJUBPBKXSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-14-7-6-8-15(2)19(14)21-13-17-11-18(22-23(3,4)5)10-9-16(17)12-20/h6-12H,13H2,1-5H3.
What are the key properties of 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde?
2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde has a molecular weight of 328.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde is sourced from PubChem (CID 87211698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).