4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde

C23H32O4 — CID 162977247

IUPAC4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOc1c(O)cc(O)c(C=O)c1C
InChIInChI=1S/C23H32O4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-27-23-19(5)20(15-24)21(25)14-22(23)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3
InChIKeyGBEALZXDMSUKNN-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.02
Rot. Bonds10

About 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde

4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde (PubChem CID 162977247) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde.

Molecular Properties

Compound Name4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde
PubChem CID162977247
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOc1c(O)cc(O)c(C=O)c1C
InChIInChI=1S/C23H32O4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-27-23-19(5)20(15-24)21(25)14-22(23)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3
InChIKeyGBEALZXDMSUKNN-UHFFFAOYSA-N
XLogP6.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 59672021
1-[(2E,6E)-3,7-dimethyldeca-2,6-dienoxy]-3,5-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 162436832
1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]ethanone
CID 10859675
2,3,4-trihydroxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CID 5317377
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4,5-trifluoro-6-methylsulfonylphenol
CID 10738414
6-hydroxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene-7-carbaldehyde
CID 74033415
[2,4-dihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenyl] acetate
CID 163066717
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
2,3,5,6-tetrafluoro-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoic acid
CID 10765373
1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
CID 24761036
4-methoxy-5-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)benzene-1,3-diol
CID 72732382
(2R)-1-[3-acetyl-4-(3,7-dimethylocta-2,6-dienoxy)-2,6-dihydroxy-5-methylphenyl]-2-methylbutan-1-one
CID 162845189

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde?
The IUPAC name of 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde (CID 162977247) is 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde.
What is the SMILES notation for 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde?
The canonical SMILES for 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde is CC(C)=CCCC(C)=CCCC(C)=CCOc1c(O)cc(O)c(C=O)c1C.
What is the InChIKey of 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde?
The InChIKey is GBEALZXDMSUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-27-23-19(5)20(15-24)21(25)14-22(23)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3.
What are the key properties of 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde?
4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde has a molecular weight of 372.51 g/mol, XLogP of 6.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde is sourced from PubChem (CID 162977247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).