12-hydroxytridecanal

C13H26O2 — CID 11961599

IUPAC12-hydroxytridecanal
SMILESCC(O)CCCCCCCCCCC=O
InChIInChI=1S/C13H26O2/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h12-13,15H,2-11H2,1H3
InChIKeyWLWURFYBTNGWCG-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.47
Rot. Bonds11

About 12-hydroxytridecanal

12-hydroxytridecanal (PubChem CID 11961599) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 12-hydroxytridecanal.

Molecular Properties

Compound Name12-hydroxytridecanal
PubChem CID11961599
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name12-hydroxytridecanal
SMILESCC(O)CCCCCCCCCCC=O
InChIInChI=1S/C13H26O2/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h12-13,15H,2-11H2,1H3
InChIKeyWLWURFYBTNGWCG-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.47
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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Related Compounds

3-Hydroxy-2-octanone
CID 6428543
1-Hydroxy-3-nonanone
CID 5362570
(S)-3-hydroxytridecan-4-one
CID 24892809
(+-)-7-Hydroxyoctanoic acid
CID 167627
2-Hydroxyhexadecanal
CID 18987871
9-Hydroxydecanoic acid
CID 4575239
3-Hydroxytridecan-4-one
CID 53262910
11-Hydroxydodecanoic acid
CID 169433
1-Hydroxydecan-3-one
CID 105510
Decanoic acid, 6-hydroxy-
CID 5312736
8-Hydroxyhentriacontane-14,16-dione
CID 71352769
25-Hydroxyhentriacontane-14,16-dione
CID 537150

Frequently Asked Questions

What is the IUPAC name of 12-hydroxytridecanal?
The IUPAC name of 12-hydroxytridecanal (CID 11961599) is 12-hydroxytridecanal.
What is the SMILES notation for 12-hydroxytridecanal?
The canonical SMILES for 12-hydroxytridecanal is CC(O)CCCCCCCCCCC=O.
What is the InChIKey of 12-hydroxytridecanal?
The InChIKey is WLWURFYBTNGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 12-hydroxytridecanal?
12-hydroxytridecanal has a molecular weight of 214.35 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytridecanal is sourced from PubChem (CID 11961599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).