icosa-5,8,11,14-tetraenal

C20H32O — CID 54011823

IUPACicosa-5,8,11,14-tetraenal
SMILESCCCCCC=CCC=CCC=CCC=CCCCC=O
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,20H,2-5,8,11,14,17-19H2,1H3
InChIKeyXTZSIVLWZNRBAB-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.33
Rot. Bonds14

About icosa-5,8,11,14-tetraenal

icosa-5,8,11,14-tetraenal (PubChem CID 54011823) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is icosa-5,8,11,14-tetraenal.

Molecular Properties

Compound Nameicosa-5,8,11,14-tetraenal
PubChem CID54011823
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Nameicosa-5,8,11,14-tetraenal
SMILESCCCCCC=CCC=CCC=CCC=CCCCC=O
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,20H,2-5,8,11,14,17-19H2,1H3
InChIKeyXTZSIVLWZNRBAB-UHFFFAOYSA-N
XLogP6.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 56.33
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

(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
heptadeca-9,12-dienal
CID 76609850
(6E,12E)-octadeca-6,12-dienal
CID 10220937
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
tetradec-3-enal
CID 57184659

Frequently Asked Questions

What is the IUPAC name of icosa-5,8,11,14-tetraenal?
The IUPAC name of icosa-5,8,11,14-tetraenal (CID 54011823) is icosa-5,8,11,14-tetraenal.
What is the SMILES notation for icosa-5,8,11,14-tetraenal?
The canonical SMILES for icosa-5,8,11,14-tetraenal is CCCCCC=CCC=CCC=CCC=CCCCC=O.
What is the InChIKey of icosa-5,8,11,14-tetraenal?
The InChIKey is XTZSIVLWZNRBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,20H,2-5,8,11,14,17-19H2,1H3.
What are the key properties of icosa-5,8,11,14-tetraenal?
icosa-5,8,11,14-tetraenal has a molecular weight of 288.47 g/mol, XLogP of 6.33, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-5,8,11,14-tetraenal is sourced from PubChem (CID 54011823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).