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

C15H20O4 — CID 91521695

IUPAC3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde
SMILESCOC(OC)Oc1cc(C=O)ccc1CC=C(C)C
InChIInChI=1S/C15H20O4/c1-11(2)5-7-13-8-6-12(10-16)9-14(13)19-15(17-3)18-4/h5-6,8-10,15H,7H2,1-4H3
InChIKeyFSVRGFAICGPYJW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.96
Rot. Bonds7

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

3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde (PubChem CID 91521695) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde.

Molecular Properties

Compound Name3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde
PubChem CID91521695
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde
SMILESCOC(OC)Oc1cc(C=O)ccc1CC=C(C)C
InChIInChI=1S/C15H20O4/c1-11(2)5-7-13-8-6-12(10-16)9-14(13)19-15(17-3)18-4/h5-6,8-10,15H,7H2,1-4H3
InChIKeyFSVRGFAICGPYJW-UHFFFAOYSA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde?
The IUPAC name of 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde (CID 91521695) is 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde.
What is the SMILES notation for 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde?
The canonical SMILES for 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde is COC(OC)Oc1cc(C=O)ccc1CC=C(C)C.
What is the InChIKey of 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde?
The InChIKey is FSVRGFAICGPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)5-7-13-8-6-12(10-16)9-14(13)19-15(17-3)18-4/h5-6,8-10,15H,7H2,1-4H3.
What are the key properties of 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde?
3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde has a molecular weight of 264.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)benzaldehyde is sourced from PubChem (CID 91521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).