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

C14H24O2 — CID 135086155

IUPAC[(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate
SMILESCCCCC/C=C\C=C\C(C)(C)OC(C)=O
InChIInChI=1S/C14H24O2/c1-5-6-7-8-9-10-11-12-14(3,4)16-13(2)15/h9-12H,5-8H2,1-4H3/b10-9-,12-11+
InChIKeyAONGBLRYIFUVFG-XAZJVICWSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds7

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

[(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate (PubChem CID 135086155) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate.

Molecular Properties

Compound Name[(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate
PubChem CID135086155
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate
SMILESCCCCC/C=C\C=C\C(C)(C)OC(C)=O
InChIInChI=1S/C14H24O2/c1-5-6-7-8-9-10-11-12-14(3,4)16-13(2)15/h9-12H,5-8H2,1-4H3/b10-9-,12-11+
InChIKeyAONGBLRYIFUVFG-XAZJVICWSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
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,5Z)-2-methylundeca-3,5-dien-2-yl] acetate?
The IUPAC name of [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate (CID 135086155) is [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate.
What is the SMILES notation for [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate?
The canonical SMILES for [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate is CCCCC/C=C\C=C\C(C)(C)OC(C)=O.
What is the InChIKey of [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate?
The InChIKey is AONGBLRYIFUVFG-XAZJVICWSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-6-7-8-9-10-11-12-14(3,4)16-13(2)15/h9-12H,5-8H2,1-4H3/b10-9-,12-11+.
What are the key properties of [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate?
[(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate is sourced from PubChem (CID 135086155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).