5-non-8-enyltetradec-13-enal

C23H42O — CID 155605589

IUPAC5-non-8-enyltetradec-13-enal
SMILESC=CCCCCCCCC(CCCC=O)CCCCCCCC=C
InChIInChI=1S/C23H42O/c1-3-5-7-9-11-13-15-19-23(21-17-18-22-24)20-16-14-12-10-8-6-4-2/h3-4,22-23H,1-2,5-21H2
InChIKeyXRZRZULWTQRHCM-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.81
Rot. Bonds20

About 5-non-8-enyltetradec-13-enal

5-non-8-enyltetradec-13-enal (PubChem CID 155605589) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 5-non-8-enyltetradec-13-enal.

Molecular Properties

Compound Name5-non-8-enyltetradec-13-enal
PubChem CID155605589
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name5-non-8-enyltetradec-13-enal
SMILESC=CCCCCCCCC(CCCC=O)CCCCCCCC=C
InChIInChI=1S/C23H42O/c1-3-5-7-9-11-13-15-19-23(21-17-18-22-24)20-16-14-12-10-8-6-4-2/h3-4,22-23H,1-2,5-21H2
InChIKeyXRZRZULWTQRHCM-UHFFFAOYSA-N
XLogP7.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.81
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

13-pent-4-enylheptacosa-1,26-diene
CID 91232021
henicos-20-enal
CID 14559831
tridec-12-enal
CID 57284057
26-heptadecylnonapentacont-1-ene
CID 123445046
12-pentyltricosa-1,22-diene
CID 102409743
7-pentyltridec-1-ene
CID 123620244
9-propyldodec-1-ene
CID 174048054
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
nonanal;oct-1-ene
CID 157284500
2-dec-9-enylpropane-1,3-diol
CID 135271441
7-butylundec-1-ene
CID 174048295
heptanal;hept-1-ene
CID 174946758

Frequently Asked Questions

What is the IUPAC name of 5-non-8-enyltetradec-13-enal?
The IUPAC name of 5-non-8-enyltetradec-13-enal (CID 155605589) is 5-non-8-enyltetradec-13-enal.
What is the SMILES notation for 5-non-8-enyltetradec-13-enal?
The canonical SMILES for 5-non-8-enyltetradec-13-enal is C=CCCCCCCCC(CCCC=O)CCCCCCCC=C.
What is the InChIKey of 5-non-8-enyltetradec-13-enal?
The InChIKey is XRZRZULWTQRHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-3-5-7-9-11-13-15-19-23(21-17-18-22-24)20-16-14-12-10-8-6-4-2/h3-4,22-23H,1-2,5-21H2.
What are the key properties of 5-non-8-enyltetradec-13-enal?
5-non-8-enyltetradec-13-enal has a molecular weight of 334.59 g/mol, XLogP of 7.81, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-non-8-enyltetradec-13-enal is sourced from PubChem (CID 155605589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).