2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde

C15H22O7 — CID 11716629

IUPAC2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde
SMILESCOCOc1c(C)c(CC=O)c(OCOC)c(OC)c1OC
InChIInChI=1S/C15H22O7/c1-10-11(6-7-16)13(22-9-18-3)15(20-5)14(19-4)12(10)21-8-17-2/h7H,6,8-9H2,1-5H3
InChIKeyBPXXOTUAVGYJFK-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.72
Rot. Bonds10

About 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde

2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde (PubChem CID 11716629) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde
PubChem CID11716629
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde
SMILESCOCOc1c(C)c(CC=O)c(OCOC)c(OC)c1OC
InChIInChI=1S/C15H22O7/c1-10-11(6-7-16)13(22-9-18-3)15(20-5)14(19-4)12(10)21-8-17-2/h7H,6,8-9H2,1-5H3
InChIKeyBPXXOTUAVGYJFK-UHFFFAOYSA-N
XLogP1.72
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 91426597
2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde
CID 146460502
1-butyl-2,5-dimethoxy-3,6-bis(methoxymethoxy)-4-[5-[2,4,5-trimethoxy-3,6-bis(methoxymethoxy)phenyl]pentyl]benzene
CID 19757236
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
1,2-dimethoxy-3,6-bis(methoxymethoxy)-4-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-4-(4-methoxyphenyl)sulfonyl-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methylbenzene
CID 66561536
2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol
CID 101076400
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
CID 168863304
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613855
2-(3-bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde
CID 10380614

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde?
The IUPAC name of 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde (CID 11716629) is 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde.
What is the SMILES notation for 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde?
The canonical SMILES for 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde is COCOc1c(C)c(CC=O)c(OCOC)c(OC)c1OC.
What is the InChIKey of 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde?
The InChIKey is BPXXOTUAVGYJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7/c1-10-11(6-7-16)13(22-9-18-3)15(20-5)14(19-4)12(10)21-8-17-2/h7H,6,8-9H2,1-5H3.
What are the key properties of 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde?
2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde has a molecular weight of 314.33 g/mol, XLogP of 1.72, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde is sourced from PubChem (CID 11716629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).