2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde

C15H16O — CID 142830103

IUPAC2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde
SMILESC=C(C)/C=C/C=C(/C)c1ccccc1C=O
InChIInChI=1S/C15H16O/c1-12(2)7-6-8-13(3)15-10-5-4-9-14(15)11-16/h4-11H,1H2,2-3H3/b7-6+,13-8-
InChIKeyZVGSUZVTQOHPIA-ZLXMBHDQSA-N
MW212.29 g/mol
LogP4.03
Rot. Bonds4

About 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde

2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde (PubChem CID 142830103) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde
PubChem CID142830103
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde
SMILESC=C(C)/C=C/C=C(/C)c1ccccc1C=O
InChIInChI=1S/C15H16O/c1-12(2)7-6-8-13(3)15-10-5-4-9-14(15)11-16/h4-11H,1H2,2-3H3/b7-6+,13-8-
InChIKeyZVGSUZVTQOHPIA-ZLXMBHDQSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde?
The IUPAC name of 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde (CID 142830103) is 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde.
What is the SMILES notation for 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde?
The canonical SMILES for 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde is C=C(C)/C=C/C=C(/C)c1ccccc1C=O.
What is the InChIKey of 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde?
The InChIKey is ZVGSUZVTQOHPIA-ZLXMBHDQSA-N. The full InChI is InChI=1S/C15H16O/c1-12(2)7-6-8-13(3)15-10-5-4-9-14(15)11-16/h4-11H,1H2,2-3H3/b7-6+,13-8-.
What are the key properties of 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde?
2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde has a molecular weight of 212.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde is sourced from PubChem (CID 142830103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).