4-tert-butyl-2,6-dimethoxybenzaldehyde

C13H18O3 — CID 138453760

IUPAC4-tert-butyl-2,6-dimethoxybenzaldehyde
SMILESCOc1cc(C(C)(C)C)cc(OC)c1C=O
InChIInChI=1S/C13H18O3/c1-13(2,3)9-6-11(15-4)10(8-14)12(7-9)16-5/h6-8H,1-5H3
InChIKeyNOIVNPMXITXRQC-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.81
Rot. Bonds3

About 4-tert-butyl-2,6-dimethoxybenzaldehyde

4-tert-butyl-2,6-dimethoxybenzaldehyde (PubChem CID 138453760) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethoxybenzaldehyde
PubChem CID138453760
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-tert-butyl-2,6-dimethoxybenzaldehyde
SMILESCOc1cc(C(C)(C)C)cc(OC)c1C=O
InChIInChI=1S/C13H18O3/c1-13(2,3)9-6-11(15-4)10(8-14)12(7-9)16-5/h6-8H,1-5H3
InChIKeyNOIVNPMXITXRQC-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658
2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
CID 91071721
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995
3-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)propanal
CID 117345291
2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129
2-[4-[2-[4-(2-formyl-3-methoxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-6-methylbenzaldehyde
CID 58434372
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethoxybenzaldehyde?
The IUPAC name of 4-tert-butyl-2,6-dimethoxybenzaldehyde (CID 138453760) is 4-tert-butyl-2,6-dimethoxybenzaldehyde.
What is the SMILES notation for 4-tert-butyl-2,6-dimethoxybenzaldehyde?
The canonical SMILES for 4-tert-butyl-2,6-dimethoxybenzaldehyde is COc1cc(C(C)(C)C)cc(OC)c1C=O.
What is the InChIKey of 4-tert-butyl-2,6-dimethoxybenzaldehyde?
The InChIKey is NOIVNPMXITXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2,3)9-6-11(15-4)10(8-14)12(7-9)16-5/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-2,6-dimethoxybenzaldehyde?
4-tert-butyl-2,6-dimethoxybenzaldehyde has a molecular weight of 222.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethoxybenzaldehyde is sourced from PubChem (CID 138453760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).