ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate

C19H34O2 — CID 21437612

IUPACethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
SMILESCCOC(=O)/C=C(C)/C(C)=C/CCC(C)CCCC(C)C
InChIInChI=1S/C19H34O2/c1-7-21-19(20)14-18(6)17(5)13-9-12-16(4)11-8-10-15(2)3/h13-16H,7-12H2,1-6H3/b17-13+,18-14+
InChIKeySTNDCRYINNMGJG-HBKJEHTGSA-N
MW294.48 g/mol
LogP5.68
Rot. Bonds10

About ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate

ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate (PubChem CID 21437612) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
PubChem CID21437612
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Nameethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
SMILESCCOC(=O)/C=C(C)/C(C)=C/CCC(C)CCCC(C)C
InChIInChI=1S/C19H34O2/c1-7-21-19(20)14-18(6)17(5)13-9-12-16(4)11-8-10-15(2)3/h13-16H,7-12H2,1-6H3/b17-13+,18-14+
InChIKeySTNDCRYINNMGJG-HBKJEHTGSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate
CID 54403356
methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242201
trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242202
ethyl (E)-3,7-dimethyloct-2-enoate
CID 87604392
2,6,10-trimethylundec-2-ene
CID 14805750
ethyl (2E,4S,7S)-4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate
CID 92533833
ethyl 3,7,11-trimethyldodeca-2,4,10-trienoate
CID 54528342
ethyl 11-ethyl-3,5,7-trimethyltrideca-2,4,10-trienoate
CID 54553058
ethyl (2E,4E)-3,4,5,7,11,11-hexamethyldodeca-2,4-dienoate
CID 21437666
ethyl N-(4,8-dimethylnon-7-enyl)carbamate
CID 89346957
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
ethyl 13-methyltetradec-2-enoate
CID 71332881

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate (CID 21437612) is ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate is CCOC(=O)/C=C(C)/C(C)=C/CCC(C)CCCC(C)C.
What is the InChIKey of ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate?
The InChIKey is STNDCRYINNMGJG-HBKJEHTGSA-N. The full InChI is InChI=1S/C19H34O2/c1-7-21-19(20)14-18(6)17(5)13-9-12-16(4)11-8-10-15(2)3/h13-16H,7-12H2,1-6H3/b17-13+,18-14+.
What are the key properties of ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate?
ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate has a molecular weight of 294.48 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate is sourced from PubChem (CID 21437612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).