ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate

C17H30O2 — CID 54403356

IUPACethyl 3,4,7,10-tetramethylundeca-2,4-dienoate
SMILESCCOC(=O)C=C(C)C(C)=CCC(C)CCC(C)C
InChIInChI=1S/C17H30O2/c1-7-19-17(18)12-16(6)15(5)11-10-14(4)9-8-13(2)3/h11-14H,7-10H2,1-6H3
InChIKeyVOZNLTXIMSZUEE-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.90
Rot. Bonds8

About ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate

ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate (PubChem CID 54403356) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate.

Molecular Properties

Compound Nameethyl 3,4,7,10-tetramethylundeca-2,4-dienoate
PubChem CID54403356
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameethyl 3,4,7,10-tetramethylundeca-2,4-dienoate
SMILESCCOC(=O)C=C(C)C(C)=CCC(C)CCC(C)C
InChIInChI=1S/C17H30O2/c1-7-19-17(18)12-16(6)15(5)11-10-14(4)9-8-13(2)3/h11-14H,7-10H2,1-6H3
InChIKeyVOZNLTXIMSZUEE-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.90
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 (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
CID 21437612
ethyl (2E,4E)-3,7,10-trimethylundeca-2,4-dienoate
CID 21437517
ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate
CID 54282549
ethyl (E)-3,7-dimethyloct-2-enoate
CID 87604392
ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
CID 51777340
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 (2E,6R)-9,9-dibromo-6-methylnona-2,8-dienoate
CID 11573932
ethyl (4E)-10,11-dibromo-3,7,11-trimethyldodeca-2,4-dienoate
CID 161085246
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethyl 3,4-dimethylhept-2-enoate
CID 123957528

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate?
The IUPAC name of ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate (CID 54403356) is ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate.
What is the SMILES notation for ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate?
The canonical SMILES for ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate is CCOC(=O)C=C(C)C(C)=CCC(C)CCC(C)C.
What is the InChIKey of ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate?
The InChIKey is VOZNLTXIMSZUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-19-17(18)12-16(6)15(5)11-10-14(4)9-8-13(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate?
ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate has a molecular weight of 266.42 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate is sourced from PubChem (CID 54403356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).