12-hydroxytetradecanal

C14H28O2 — CID 90714775

IUPAC12-hydroxytetradecanal
SMILESCCC(O)CCCCCCCCCCC=O
InChIInChI=1S/C14H28O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h13-14,16H,2-12H2,1H3
InChIKeySAAXCFIDGJVWRT-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.86
Rot. Bonds12

About 12-hydroxytetradecanal

12-hydroxytetradecanal (PubChem CID 90714775) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 12-hydroxytetradecanal.

Molecular Properties

Compound Name12-hydroxytetradecanal
PubChem CID90714775
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name12-hydroxytetradecanal
SMILESCCC(O)CCCCCCCCCCC=O
InChIInChI=1S/C14H28O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h13-14,16H,2-12H2,1H3
InChIKeySAAXCFIDGJVWRT-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.86
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

6-hydroxydecanal
CID 86178467
12-hydroxytridecanal
CID 11961599
(E)-12-hydroxyoctadec-9-enal
CID 87273358
8-aminodecanal
CID 173156180
5-hydroxyoctanal
CID 54248840
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
icosan-3-ol
CID 14940768
20-amino-20-hydroxyicosanal
CID 89131353
nonane-3,7-diol
CID 22141483
(E)-14-methylhexadec-8-enal
CID 6073809
22-methyltricosanal
CID 86049143
icosane-1,18-diol
CID 87114916

Frequently Asked Questions

What is the IUPAC name of 12-hydroxytetradecanal?
The IUPAC name of 12-hydroxytetradecanal (CID 90714775) is 12-hydroxytetradecanal.
What is the SMILES notation for 12-hydroxytetradecanal?
The canonical SMILES for 12-hydroxytetradecanal is CCC(O)CCCCCCCCCCC=O.
What is the InChIKey of 12-hydroxytetradecanal?
The InChIKey is SAAXCFIDGJVWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 12-hydroxytetradecanal?
12-hydroxytetradecanal has a molecular weight of 228.38 g/mol, XLogP of 3.86, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytetradecanal is sourced from PubChem (CID 90714775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).