2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde

C16H20O5 — CID 11437785

IUPAC2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde
SMILESCOc1c(C=O)c(OC)c(/C=C/C(C)C)c(OC)c1C=O
InChIInChI=1S/C16H20O5/c1-10(2)6-7-11-14(19-3)12(8-17)16(21-5)13(9-18)15(11)20-4/h6-10H,1-5H3/b7-6+
InChIKeyUBLRNBVRGULSLG-VOTSOKGWSA-N
MW292.33 g/mol
LogP3.01
Rot. Bonds7

About 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde

2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde (PubChem CID 11437785) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde
PubChem CID11437785
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde
SMILESCOc1c(C=O)c(OC)c(/C=C/C(C)C)c(OC)c1C=O
InChIInChI=1S/C16H20O5/c1-10(2)6-7-11-14(19-3)12(8-17)16(21-5)13(9-18)15(11)20-4/h6-10H,1-5H3/b7-6+
InChIKeyUBLRNBVRGULSLG-VOTSOKGWSA-N
XLogP3.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde?
The IUPAC name of 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde (CID 11437785) is 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde?
The canonical SMILES for 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde is COc1c(C=O)c(OC)c(/C=C/C(C)C)c(OC)c1C=O.
What is the InChIKey of 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde?
The InChIKey is UBLRNBVRGULSLG-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H20O5/c1-10(2)6-7-11-14(19-3)12(8-17)16(21-5)13(9-18)15(11)20-4/h6-10H,1-5H3/b7-6+.
What are the key properties of 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde?
2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde has a molecular weight of 292.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 11437785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).