ethyl (E)-4-bromodec-2-enoate

C12H21BrO2 — CID 14510782

IUPACethyl (E)-4-bromodec-2-enoate
SMILESCCCCCCC(Br)/C=C/C(=O)OCC
InChIInChI=1S/C12H21BrO2/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h9-11H,3-8H2,1-2H3/b10-9+
InChIKeyLWXDEPZQLXSDCE-MDZDMXLPSA-N
MW277.20 g/mol
LogP3.84
Rot. Bonds8

About ethyl (E)-4-bromodec-2-enoate

ethyl (E)-4-bromodec-2-enoate (PubChem CID 14510782) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is ethyl (E)-4-bromodec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-bromodec-2-enoate
PubChem CID14510782
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Nameethyl (E)-4-bromodec-2-enoate
SMILESCCCCCCC(Br)/C=C/C(=O)OCC
InChIInChI=1S/C12H21BrO2/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h9-11H,3-8H2,1-2H3/b10-9+
InChIKeyLWXDEPZQLXSDCE-MDZDMXLPSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-bromodec-2-enoate?
The IUPAC name of ethyl (E)-4-bromodec-2-enoate (CID 14510782) is ethyl (E)-4-bromodec-2-enoate.
What is the SMILES notation for ethyl (E)-4-bromodec-2-enoate?
The canonical SMILES for ethyl (E)-4-bromodec-2-enoate is CCCCCCC(Br)/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E)-4-bromodec-2-enoate?
The InChIKey is LWXDEPZQLXSDCE-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h9-11H,3-8H2,1-2H3/b10-9+.
What are the key properties of ethyl (E)-4-bromodec-2-enoate?
ethyl (E)-4-bromodec-2-enoate has a molecular weight of 277.20 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-bromodec-2-enoate is sourced from PubChem (CID 14510782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).