(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal

C14H18O2 — CID 15755837

IUPAC(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
SMILESCCC(O)/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C14H18O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h3-14,16H,2H2,1H3/b4-3+,7-5+,8-6+,11-9+,12-10+
InChIKeyQINJKIPCROFKRJ-RZLSLBLSSA-N
MW218.30 g/mol
LogP2.74
Rot. Bonds7

About (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal

(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal (PubChem CID 15755837) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
PubChem CID15755837
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
SMILESCCC(O)/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C14H18O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h3-14,16H,2H2,1H3/b4-3+,7-5+,8-6+,11-9+,12-10+
InChIKeyQINJKIPCROFKRJ-RZLSLBLSSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal?
The IUPAC name of (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal (CID 15755837) is (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal is CCC(O)/C=C/C=C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal?
The InChIKey is QINJKIPCROFKRJ-RZLSLBLSSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h3-14,16H,2H2,1H3/b4-3+,7-5+,8-6+,11-9+,12-10+.
What are the key properties of (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal?
(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal has a molecular weight of 218.30 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 15755837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).