4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal

C17H26O3 — CID 134990490

IUPAC4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal
SMILESCOc1c(C)c(C)c(OC)c(CCC(C)(C)C=O)c1C
InChIInChI=1S/C17H26O3/c1-11-12(2)16(20-7)14(13(3)15(11)19-6)8-9-17(4,5)10-18/h10H,8-9H2,1-7H3
InChIKeyMUXKEEVOVYQZDT-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.79
Rot. Bonds6

About 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal

4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal (PubChem CID 134990490) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal.

Molecular Properties

Compound Name4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal
PubChem CID134990490
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal
SMILESCOc1c(C)c(C)c(OC)c(CCC(C)(C)C=O)c1C
InChIInChI=1S/C17H26O3/c1-11-12(2)16(20-7)14(13(3)15(11)19-6)8-9-17(4,5)10-18/h10H,8-9H2,1-7H3
InChIKeyMUXKEEVOVYQZDT-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal?
The IUPAC name of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal (CID 134990490) is 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal.
What is the SMILES notation for 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal?
The canonical SMILES for 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal is COc1c(C)c(C)c(OC)c(CCC(C)(C)C=O)c1C.
What is the InChIKey of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal?
The InChIKey is MUXKEEVOVYQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-11-12(2)16(20-7)14(13(3)15(11)19-6)8-9-17(4,5)10-18/h10H,8-9H2,1-7H3.
What are the key properties of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal?
4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal has a molecular weight of 278.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal is sourced from PubChem (CID 134990490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).