ethyl nona-2,3-dienoate

C11H18O2 — CID 533672

IUPACethyl nona-2,3-dienoate
SMILESCCCCCC=C=CC(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8,10H,3-7H2,1-2H3
InChIKeyRSGLOEHCQDOWGS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds6

About ethyl nona-2,3-dienoate

ethyl nona-2,3-dienoate (PubChem CID 533672) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl nona-2,3-dienoate.

Molecular Properties

Compound Nameethyl nona-2,3-dienoate
PubChem CID533672
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl nona-2,3-dienoate
SMILESCCCCCC=C=CC(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8,10H,3-7H2,1-2H3
InChIKeyRSGLOEHCQDOWGS-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
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

2,3-Hexadienoic acid, ethyl ester
CID 11051735
t-Butyl octa-2,3-dienoate
CID 175665131
Ethyl hepta-2,3-dienoate
CID 10351891
2,3-Hexadienoic acid, 5,5-dimethyl-, ethyl ester
CID 11240714
Ethyl octa-2,3-dienoate
CID 15202653
Hex-1-ene;methyl prop-2-enoate
CID 88054829
Methyl prop-2-enoate;oct-1-ene
CID 88100977
2,3-Undecadienoic acid, 2-methyl-, ethyl ester
CID 11687237
Ethyl 2-methylhepta-2,3-dienoate
CID 12171690
Methyl nona-2,3-dienoate
CID 10725787
Methyl 2-methylnona-2,3-dienoate
CID 10749954
Methyl trideca-2,3,12-trienoate
CID 10846691

Frequently Asked Questions

What is the IUPAC name of ethyl nona-2,3-dienoate?
The IUPAC name of ethyl nona-2,3-dienoate (CID 533672) is ethyl nona-2,3-dienoate.
What is the SMILES notation for ethyl nona-2,3-dienoate?
The canonical SMILES for ethyl nona-2,3-dienoate is CCCCCC=C=CC(=O)OCC.
What is the InChIKey of ethyl nona-2,3-dienoate?
The InChIKey is RSGLOEHCQDOWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl nona-2,3-dienoate?
ethyl nona-2,3-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl nona-2,3-dienoate is sourced from PubChem (CID 533672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).