4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde

C14H18O3 — CID 14559752

IUPAC4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
SMILESCOCOc1ccc(C=O)cc1CC=C(C)C
InChIInChI=1S/C14H18O3/c1-11(2)4-6-13-8-12(9-15)5-7-14(13)17-10-16-3/h4-5,7-9H,6,10H2,1-3H3
InChIKeyBWOFOKOAUKWKBC-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.99
Rot. Bonds6

About 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde

4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde (PubChem CID 14559752) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde.

Molecular Properties

Compound Name4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
PubChem CID14559752
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
SMILESCOCOc1ccc(C=O)cc1CC=C(C)C
InChIInChI=1S/C14H18O3/c1-11(2)4-6-13-8-12(9-15)5-7-14(13)17-10-16-3/h4-5,7-9H,6,10H2,1-3H3
InChIKeyBWOFOKOAUKWKBC-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(methoxymethoxy)-5-(3-methylbut-2-enyl)benzaldehyde
CID 57480623
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417
3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235410
4-methoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CID 5365920
4-(methoxymethoxy)-3-[(4-methylsulfanylphenyl)methyl]benzaldehyde
CID 86235418
3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde
CID 91521695
3,4-bis(methoxymethoxy)-2-(3-methylbut-2-enyl)benzaldehyde
CID 11098397
4-(methoxymethoxy)-3-[(4-methylsulfonylphenyl)methyl]benzaldehyde
CID 86235358
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzaldehyde;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(methoxymethoxy)benzaldehyde;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(methoxymethoxy)benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-phenylmethoxybenzoic acid;4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde;4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid;4-(methoxymethoxy)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzaldehyde;4-(methoxymethoxy)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde;4-(methoxymethoxy)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
CID 159754924
4-(methoxymethoxy)-3-(3-methyl(414C)but-3-en-1-ynyl)(14C)benzaldehyde
CID 11776104
4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
CID 86235408

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde?
The IUPAC name of 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde (CID 14559752) is 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde.
What is the SMILES notation for 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde?
The canonical SMILES for 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde is COCOc1ccc(C=O)cc1CC=C(C)C.
What is the InChIKey of 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde?
The InChIKey is BWOFOKOAUKWKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-11(2)4-6-13-8-12(9-15)5-7-14(13)17-10-16-3/h4-5,7-9H,6,10H2,1-3H3.
What are the key properties of 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde?
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde has a molecular weight of 234.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde is sourced from PubChem (CID 14559752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).