[(3E,5E)-deca-3,5-dien-2-yl] acetate

C12H20O2 — CID 12755498

IUPAC[(3E,5E)-deca-3,5-dien-2-yl] acetate
SMILESCCCC/C=C/C=C/C(C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h7-11H,4-6H2,1-3H3/b8-7+,10-9+
InChIKeyJGUXMRSQNYOHKA-XBLVEGMJSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds6

About [(3E,5E)-deca-3,5-dien-2-yl] acetate

[(3E,5E)-deca-3,5-dien-2-yl] acetate (PubChem CID 12755498) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(3E,5E)-deca-3,5-dien-2-yl] acetate.

Molecular Properties

Compound Name[(3E,5E)-deca-3,5-dien-2-yl] acetate
PubChem CID12755498
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(3E,5E)-deca-3,5-dien-2-yl] acetate
SMILESCCCC/C=C/C=C/C(C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h7-11H,4-6H2,1-3H3/b8-7+,10-9+
InChIKeyJGUXMRSQNYOHKA-XBLVEGMJSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-deca-3,5-dien-2-yl] acetate?
The IUPAC name of [(3E,5E)-deca-3,5-dien-2-yl] acetate (CID 12755498) is [(3E,5E)-deca-3,5-dien-2-yl] acetate.
What is the SMILES notation for [(3E,5E)-deca-3,5-dien-2-yl] acetate?
The canonical SMILES for [(3E,5E)-deca-3,5-dien-2-yl] acetate is CCCC/C=C/C=C/C(C)OC(C)=O.
What is the InChIKey of [(3E,5E)-deca-3,5-dien-2-yl] acetate?
The InChIKey is JGUXMRSQNYOHKA-XBLVEGMJSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h7-11H,4-6H2,1-3H3/b8-7+,10-9+.
What are the key properties of [(3E,5E)-deca-3,5-dien-2-yl] acetate?
[(3E,5E)-deca-3,5-dien-2-yl] acetate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-deca-3,5-dien-2-yl] acetate is sourced from PubChem (CID 12755498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).