3,4-bis(methoxymethoxy)benzaldehyde

C11H14O5 — CID 11746314

IUPAC3,4-bis(methoxymethoxy)benzaldehyde
SMILESCOCOc1ccc(C=O)cc1OCOC
InChIInChI=1S/C11H14O5/c1-13-7-15-10-4-3-9(6-12)5-11(10)16-8-14-2/h3-6H,7-8H2,1-2H3
InChIKeyRYTSFSLVJDNOHI-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.46
Rot. Bonds7

About 3,4-bis(methoxymethoxy)benzaldehyde

3,4-bis(methoxymethoxy)benzaldehyde (PubChem CID 11746314) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3,4-bis(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3,4-bis(methoxymethoxy)benzaldehyde
PubChem CID11746314
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3,4-bis(methoxymethoxy)benzaldehyde
SMILESCOCOc1ccc(C=O)cc1OCOC
InChIInChI=1S/C11H14O5/c1-13-7-15-10-4-3-9(6-12)5-11(10)16-8-14-2/h3-6H,7-8H2,1-2H3
InChIKeyRYTSFSLVJDNOHI-UHFFFAOYSA-N
XLogP1.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
CID 14559752
4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde
CID 150489508
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-(methoxymethoxy)-3-(3-methyl(414C)but-3-en-1-ynyl)(14C)benzaldehyde
CID 11776104
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(methoxymethoxy)benzaldehyde?
The IUPAC name of 3,4-bis(methoxymethoxy)benzaldehyde (CID 11746314) is 3,4-bis(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 3,4-bis(methoxymethoxy)benzaldehyde?
The canonical SMILES for 3,4-bis(methoxymethoxy)benzaldehyde is COCOc1ccc(C=O)cc1OCOC.
What is the InChIKey of 3,4-bis(methoxymethoxy)benzaldehyde?
The InChIKey is RYTSFSLVJDNOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-13-7-15-10-4-3-9(6-12)5-11(10)16-8-14-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 3,4-bis(methoxymethoxy)benzaldehyde?
3,4-bis(methoxymethoxy)benzaldehyde has a molecular weight of 226.23 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 11746314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).