2-ethyl-5,9-dimethyldeca-2,4,8-trienal

C14H22O — CID 3020531

IUPAC2-ethyl-5,9-dimethyldeca-2,4,8-trienal
SMILESCCC(C=O)=CC=C(C)CCC=C(C)C
InChIInChI=1S/C14H22O/c1-5-14(11-15)10-9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3
InChIKeyCBCNSUNKJFIOKF-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds6

About 2-ethyl-5,9-dimethyldeca-2,4,8-trienal

2-ethyl-5,9-dimethyldeca-2,4,8-trienal (PubChem CID 3020531) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethyl-5,9-dimethyldeca-2,4,8-trienal.

Molecular Properties

Compound Name2-ethyl-5,9-dimethyldeca-2,4,8-trienal
PubChem CID3020531
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-ethyl-5,9-dimethyldeca-2,4,8-trienal
SMILESCCC(C=O)=CC=C(C)CCC=C(C)C
InChIInChI=1S/C14H22O/c1-5-14(11-15)10-9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3
InChIKeyCBCNSUNKJFIOKF-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-ethyl-5,9-dimethyldeca-2,4,8-trienal
CID 165348110
3,7-dimethylocta-2,6-dienal
CID 8843
(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one
CID 6450497
CID 175955047
CID 175955047
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
(2E)-3,7-dimethylocta-2,6-dienal;prop-2-enal
CID 87385613
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
3,7-dimethylocta-2,6-dienal;thiourea
CID 175295951
butan-1-ol;3,7-dimethylocta-2,6-dienal
CID 175220199
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,9-dimethyldeca-2,4,8-trienal?
The IUPAC name of 2-ethyl-5,9-dimethyldeca-2,4,8-trienal (CID 3020531) is 2-ethyl-5,9-dimethyldeca-2,4,8-trienal.
What is the SMILES notation for 2-ethyl-5,9-dimethyldeca-2,4,8-trienal?
The canonical SMILES for 2-ethyl-5,9-dimethyldeca-2,4,8-trienal is CCC(C=O)=CC=C(C)CCC=C(C)C.
What is the InChIKey of 2-ethyl-5,9-dimethyldeca-2,4,8-trienal?
The InChIKey is CBCNSUNKJFIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-14(11-15)10-9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3.
What are the key properties of 2-ethyl-5,9-dimethyldeca-2,4,8-trienal?
2-ethyl-5,9-dimethyldeca-2,4,8-trienal has a molecular weight of 206.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,9-dimethyldeca-2,4,8-trienal is sourced from PubChem (CID 3020531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).