5-dodecyl-2-hydroxybenzaldehyde

C19H30O2 — CID 6429810

IUPAC5-dodecyl-2-hydroxybenzaldehyde
SMILESCCCCCCCCCCCCc1ccc(O)c(C=O)c1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20/h13-16,21H,2-12H2,1H3
InChIKeyGGHYSWAOXYBGNK-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.67
Rot. Bonds12

About 5-dodecyl-2-hydroxybenzaldehyde

5-dodecyl-2-hydroxybenzaldehyde (PubChem CID 6429810) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-dodecyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-dodecyl-2-hydroxybenzaldehyde
PubChem CID6429810
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name5-dodecyl-2-hydroxybenzaldehyde
SMILESCCCCCCCCCCCCc1ccc(O)c(C=O)c1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20/h13-16,21H,2-12H2,1H3
InChIKeyGGHYSWAOXYBGNK-UHFFFAOYSA-N
XLogP5.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-2-hydroxybenzaldehyde?
The IUPAC name of 5-dodecyl-2-hydroxybenzaldehyde (CID 6429810) is 5-dodecyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-dodecyl-2-hydroxybenzaldehyde?
The canonical SMILES for 5-dodecyl-2-hydroxybenzaldehyde is CCCCCCCCCCCCc1ccc(O)c(C=O)c1.
What is the InChIKey of 5-dodecyl-2-hydroxybenzaldehyde?
The InChIKey is GGHYSWAOXYBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20/h13-16,21H,2-12H2,1H3.
What are the key properties of 5-dodecyl-2-hydroxybenzaldehyde?
5-dodecyl-2-hydroxybenzaldehyde has a molecular weight of 290.45 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 6429810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).