2-(2-methoxypentadec-6-enyl)benzaldehyde

C23H36O2 — CID 87115337

IUPAC2-(2-methoxypentadec-6-enyl)benzaldehyde
SMILESCCCCCCCCC=CCCCC(Cc1ccccc1C=O)OC
InChIInChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25-2)19-21-16-14-15-17-22(21)20-24/h10-11,14-17,20,23H,3-9,12-13,18-19H2,1-2H3
InChIKeyXOHHWRGKPHMJSD-UHFFFAOYSA-N
MW344.54 g/mol
LogP6.53
Rot. Bonds15

About 2-(2-methoxypentadec-6-enyl)benzaldehyde

2-(2-methoxypentadec-6-enyl)benzaldehyde (PubChem CID 87115337) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-(2-methoxypentadec-6-enyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-methoxypentadec-6-enyl)benzaldehyde
PubChem CID87115337
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name2-(2-methoxypentadec-6-enyl)benzaldehyde
SMILESCCCCCCCCC=CCCCC(Cc1ccccc1C=O)OC
InChIInChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25-2)19-21-16-14-15-17-22(21)20-24/h10-11,14-17,20,23H,3-9,12-13,18-19H2,1-2H3
InChIKeyXOHHWRGKPHMJSD-UHFFFAOYSA-N
XLogP6.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(2-methoxypentadecyl)phenyl]methylidene]-3-oxobutanoate
CID 66701907
2-methoxyoctylbenzene
CID 102054372
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde
CID 57423741
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
9-methoxyhexadec-2-enoic acid
CID 163192644
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
ethane;[(Z)-octadec-9-en-7-yl] 2-phenylacetate
CID 142469277
[(Z)-1-oxooctadec-9-en-2-yl] benzoate
CID 89296568

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypentadec-6-enyl)benzaldehyde?
The IUPAC name of 2-(2-methoxypentadec-6-enyl)benzaldehyde (CID 87115337) is 2-(2-methoxypentadec-6-enyl)benzaldehyde.
What is the SMILES notation for 2-(2-methoxypentadec-6-enyl)benzaldehyde?
The canonical SMILES for 2-(2-methoxypentadec-6-enyl)benzaldehyde is CCCCCCCCC=CCCCC(Cc1ccccc1C=O)OC.
What is the InChIKey of 2-(2-methoxypentadec-6-enyl)benzaldehyde?
The InChIKey is XOHHWRGKPHMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25-2)19-21-16-14-15-17-22(21)20-24/h10-11,14-17,20,23H,3-9,12-13,18-19H2,1-2H3.
What are the key properties of 2-(2-methoxypentadec-6-enyl)benzaldehyde?
2-(2-methoxypentadec-6-enyl)benzaldehyde has a molecular weight of 344.54 g/mol, XLogP of 6.53, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypentadec-6-enyl)benzaldehyde is sourced from PubChem (CID 87115337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).