ethyl (E)-dec-4-enoate

C12H22O2 — CID 5362583

IUPACethyl (E)-dec-4-enoate
SMILESCCCCC/C=C/CCC(=O)OCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKeyAWNIQMQADACLCJ-CMDGGOBGSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About ethyl (E)-dec-4-enoate

ethyl (E)-dec-4-enoate (PubChem CID 5362583) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethyl (E)-dec-4-enoate.

Molecular Properties

Compound Nameethyl (E)-dec-4-enoate
PubChem CID5362583
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethyl (E)-dec-4-enoate
SMILESCCCCC/C=C/CCC(=O)OCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKeyAWNIQMQADACLCJ-CMDGGOBGSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-dec-4-enoate?
The IUPAC name of ethyl (E)-dec-4-enoate (CID 5362583) is ethyl (E)-dec-4-enoate.
What is the SMILES notation for ethyl (E)-dec-4-enoate?
The canonical SMILES for ethyl (E)-dec-4-enoate is CCCCC/C=C/CCC(=O)OCC.
What is the InChIKey of ethyl (E)-dec-4-enoate?
The InChIKey is AWNIQMQADACLCJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-dec-4-enoate?
ethyl (E)-dec-4-enoate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-dec-4-enoate is sourced from PubChem (CID 5362583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).