[(E)-dec-2-en-4,6-diynyl] acetate

C12H14O2 — CID 5318914

IUPAC[(E)-dec-2-en-4,6-diynyl] acetate
SMILESCCCC#CC#C/C=C/COC(C)=O
InChIInChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3/b10-9+
InChIKeyMBPOFHHSNKUQAY-MDZDMXLPSA-N
MW190.24 g/mol
LogP1.91
Rot. Bonds3

About [(E)-dec-2-en-4,6-diynyl] acetate

[(E)-dec-2-en-4,6-diynyl] acetate (PubChem CID 5318914) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(E)-dec-2-en-4,6-diynyl] acetate.

Molecular Properties

Compound Name[(E)-dec-2-en-4,6-diynyl] acetate
PubChem CID5318914
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(E)-dec-2-en-4,6-diynyl] acetate
SMILESCCCC#CC#C/C=C/COC(C)=O
InChIInChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3/b10-9+
InChIKeyMBPOFHHSNKUQAY-MDZDMXLPSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-dec-2-en-4,6-diynyl] acetate?
The IUPAC name of [(E)-dec-2-en-4,6-diynyl] acetate (CID 5318914) is [(E)-dec-2-en-4,6-diynyl] acetate.
What is the SMILES notation for [(E)-dec-2-en-4,6-diynyl] acetate?
The canonical SMILES for [(E)-dec-2-en-4,6-diynyl] acetate is CCCC#CC#C/C=C/COC(C)=O.
What is the InChIKey of [(E)-dec-2-en-4,6-diynyl] acetate?
The InChIKey is MBPOFHHSNKUQAY-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3/b10-9+.
What are the key properties of [(E)-dec-2-en-4,6-diynyl] acetate?
[(E)-dec-2-en-4,6-diynyl] acetate has a molecular weight of 190.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-2-en-4,6-diynyl] acetate is sourced from PubChem (CID 5318914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).