[(E)-dec-3-en-5-yn-2-yl] acetate

C12H18O2 — CID 10750338

IUPAC[(E)-dec-3-en-5-yn-2-yl] acetate
SMILESCCCCC#C/C=C/C(C)OC(C)=O
InChIInChI=1S/C12H18O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h9-11H,4-6H2,1-3H3/b10-9+
InChIKeyZFJOACGSZDMFCI-MDZDMXLPSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds4

About [(E)-dec-3-en-5-yn-2-yl] acetate

[(E)-dec-3-en-5-yn-2-yl] acetate (PubChem CID 10750338) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [(E)-dec-3-en-5-yn-2-yl] acetate.

Molecular Properties

Compound Name[(E)-dec-3-en-5-yn-2-yl] acetate
PubChem CID10750338
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[(E)-dec-3-en-5-yn-2-yl] acetate
SMILESCCCCC#C/C=C/C(C)OC(C)=O
InChIInChI=1S/C12H18O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h9-11H,4-6H2,1-3H3/b10-9+
InChIKeyZFJOACGSZDMFCI-MDZDMXLPSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-dec-3-en-5-yn-2-yl] acetate?
The IUPAC name of [(E)-dec-3-en-5-yn-2-yl] acetate (CID 10750338) is [(E)-dec-3-en-5-yn-2-yl] acetate.
What is the SMILES notation for [(E)-dec-3-en-5-yn-2-yl] acetate?
The canonical SMILES for [(E)-dec-3-en-5-yn-2-yl] acetate is CCCCC#C/C=C/C(C)OC(C)=O.
What is the InChIKey of [(E)-dec-3-en-5-yn-2-yl] acetate?
The InChIKey is ZFJOACGSZDMFCI-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h9-11H,4-6H2,1-3H3/b10-9+.
What are the key properties of [(E)-dec-3-en-5-yn-2-yl] acetate?
[(E)-dec-3-en-5-yn-2-yl] acetate has a molecular weight of 194.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-3-en-5-yn-2-yl] acetate is sourced from PubChem (CID 10750338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).