ethyl 2-methylundeca-2,3-dienoate

C14H24O2 — CID 11687237

IUPACethyl 2-methylundeca-2,3-dienoate
SMILESCCCCCCCC=C=C(C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-13(3)14(15)16-5-2/h11H,4-10H2,1-3H3
InChIKeyRPPYCLKOZIJEOZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.01
Rot. Bonds8

About ethyl 2-methylundeca-2,3-dienoate

ethyl 2-methylundeca-2,3-dienoate (PubChem CID 11687237) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-methylundeca-2,3-dienoate.

Molecular Properties

Compound Nameethyl 2-methylundeca-2,3-dienoate
PubChem CID11687237
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-methylundeca-2,3-dienoate
SMILESCCCCCCCC=C=C(C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-13(3)14(15)16-5-2/h11H,4-10H2,1-3H3
InChIKeyRPPYCLKOZIJEOZ-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,7-Dimethyl-2,7-octadienyl propionate
CID 5365067
(E)-3,7-Dimethyl-2,7-octadienyl propionate
CID 6440569
Nona-2,3-dienoic acid, ethyl ester
CID 533672
2-Methyl-2-nonen-1-YL propionate
CID 6261926
Ethyl 2,3-dimethyl-2-nonenoate
CID 6372197
ethyl (E)-2-methyldec-2-enoate
CID 11413211
Ethyl 2,5-dimethylhexa-2,3-dienoate
CID 85927176
ethyl (2E)-3-methylnon-2-enoate
CID 5778867
Ethyl octa-2,3-dienoate
CID 15202653
(e)-Ethyl 3-methyldodec-2-enoate
CID 22625283
Undecenyl methacrylate
CID 54020671
3-Methyl-undec-2-enoic acid ethyl ester
CID 85584822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylundeca-2,3-dienoate?
The IUPAC name of ethyl 2-methylundeca-2,3-dienoate (CID 11687237) is ethyl 2-methylundeca-2,3-dienoate.
What is the SMILES notation for ethyl 2-methylundeca-2,3-dienoate?
The canonical SMILES for ethyl 2-methylundeca-2,3-dienoate is CCCCCCCC=C=C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methylundeca-2,3-dienoate?
The InChIKey is RPPYCLKOZIJEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-13(3)14(15)16-5-2/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-methylundeca-2,3-dienoate?
ethyl 2-methylundeca-2,3-dienoate has a molecular weight of 224.34 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylundeca-2,3-dienoate is sourced from PubChem (CID 11687237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).