tetradec-13-enal

C14H26O — CID 522841

IUPACtetradec-13-enal
SMILESC=CCCCCCCCCCCCC=O
InChIInChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2
InChIKeyZVJRAGVPKPPDKE-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.66
Rot. Bonds12

About tetradec-13-enal

tetradec-13-enal (PubChem CID 522841) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is tetradec-13-enal.

Molecular Properties

Compound Nametetradec-13-enal
PubChem CID522841
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nametetradec-13-enal
SMILESC=CCCCCCCCCCCCC=O
InChIInChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2
InChIKeyZVJRAGVPKPPDKE-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

9-Octadecenal
CID 5283381
10-Undecenal
CID 8187
9-Octadecenal, (9Z)-
CID 5364492
11-Hexadecenal, (11Z)-
CID 5364495
9-Decenal
CID 162392
(Z)-9-Hexadecenal
CID 5364643
13-Octadecenal, (13Z)-
CID 5364497
7-Tetradecenal, (7Z)-
CID 5364468
16-Octadecenal
CID 5367668
9-Undecenal
CID 6431148
9-Dodecenal, (9Z)-
CID 6430189
(Z)-8-heptadecenal
CID 6430106

Frequently Asked Questions

What is the IUPAC name of tetradec-13-enal?
The IUPAC name of tetradec-13-enal (CID 522841) is tetradec-13-enal.
What is the SMILES notation for tetradec-13-enal?
The canonical SMILES for tetradec-13-enal is C=CCCCCCCCCCCCC=O.
What is the InChIKey of tetradec-13-enal?
The InChIKey is ZVJRAGVPKPPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2.
What are the key properties of tetradec-13-enal?
tetradec-13-enal has a molecular weight of 210.36 g/mol, XLogP of 4.66, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-13-enal is sourced from PubChem (CID 522841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).