2-ethylundeca-5,8-dienal

C13H22O — CID 140806984

IUPAC2-ethylundeca-5,8-dienal
SMILESCCC=CCC=CCCC(C=O)CC
InChIInChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
InChIKeyAGDDYCOKNDVJLB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds8

About 2-ethylundeca-5,8-dienal

2-ethylundeca-5,8-dienal (PubChem CID 140806984) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-ethylundeca-5,8-dienal.

Molecular Properties

Compound Name2-ethylundeca-5,8-dienal
PubChem CID140806984
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-ethylundeca-5,8-dienal
SMILESCCC=CCC=CCCC(C=O)CC
InChIInChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
InChIKeyAGDDYCOKNDVJLB-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,8E)-2-ethyltetradeca-5,8-dienal
CID 118354605
2-ethylhept-5-enal
CID 159875666
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
docosa-4,8,12,15,19-pentaenal
CID 54481142
2-methanethioylicosa-5,8,11,14,17-pentaenoic acid
CID 123778500
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
pentadeca-3,6,9,12-tetraene
CID 123748490
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
[(5E,8E,11E,14E,17E)-2-ethyl-1-hydroxyicosa-5,8,11,14,17-pentaenyl]phosphonic acid
CID 142701086
(3R,5R,9Z,12Z,15Z,18Z,21Z)-3,5-dihydroxytetracosa-9,12,15,18,21-pentaenal
CID 118505514
2-(chloromethyl)icosa-5,8,11,14,17-pentaenoic acid
CID 54255147

Frequently Asked Questions

What is the IUPAC name of 2-ethylundeca-5,8-dienal?
The IUPAC name of 2-ethylundeca-5,8-dienal (CID 140806984) is 2-ethylundeca-5,8-dienal.
What is the SMILES notation for 2-ethylundeca-5,8-dienal?
The canonical SMILES for 2-ethylundeca-5,8-dienal is CCC=CCC=CCCC(C=O)CC.
What is the InChIKey of 2-ethylundeca-5,8-dienal?
The InChIKey is AGDDYCOKNDVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-ethylundeca-5,8-dienal?
2-ethylundeca-5,8-dienal has a molecular weight of 194.32 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylundeca-5,8-dienal is sourced from PubChem (CID 140806984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).