[(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate

C17H28O4 — CID 162970266

IUPAC[(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC/C(C)=C\CC/C(C)=C/COC(C)=O
InChIInChI=1S/C17H28O4/c1-6-15(4)17(19)21-12-14(3)9-7-8-13(2)10-11-20-16(5)18/h9-10,15H,6-8,11-12H2,1-5H3/b13-10+,14-9-/t15-/m1/s1
InChIKeyWEBJVWPPMGGELG-SVXHRKKWSA-N
MW296.41 g/mol
LogP3.81
Rot. Bonds9

About [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate

[(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate (PubChem CID 162970266) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate.

Molecular Properties

Compound Name[(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
PubChem CID162970266
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name[(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC/C(C)=C\CC/C(C)=C/COC(C)=O
InChIInChI=1S/C17H28O4/c1-6-15(4)17(19)21-12-14(3)9-7-8-13(2)10-11-20-16(5)18/h9-10,15H,6-8,11-12H2,1-5H3/b13-10+,14-9-/t15-/m1/s1
InChIKeyWEBJVWPPMGGELG-SVXHRKKWSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
The IUPAC name of [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate (CID 162970266) is [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate.
What is the SMILES notation for [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
The canonical SMILES for [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate is CC[C@@H](C)C(=O)OC/C(C)=C\CC/C(C)=C/COC(C)=O.
What is the InChIKey of [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
The InChIKey is WEBJVWPPMGGELG-SVXHRKKWSA-N. The full InChI is InChI=1S/C17H28O4/c1-6-15(4)17(19)21-12-14(3)9-7-8-13(2)10-11-20-16(5)18/h9-10,15H,6-8,11-12H2,1-5H3/b13-10+,14-9-/t15-/m1/s1.
What are the key properties of [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
[(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate has a molecular weight of 296.41 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate is sourced from PubChem (CID 162970266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).