[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate

C15H26O2 — CID 76966091

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+/t14-/m1/s1
InChIKeyPEQMAZJTEUEQJP-JWAFFJSPSA-N
MW238.37 g/mol
LogP4.27
Rot. Bonds7

About [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate

[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate (PubChem CID 76966091) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
PubChem CID76966091
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+/t14-/m1/s1
InChIKeyPEQMAZJTEUEQJP-JWAFFJSPSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate (CID 76966091) is [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate is CC[C@@H](C)C(=O)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
The InChIKey is PEQMAZJTEUEQJP-JWAFFJSPSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+/t14-/m1/s1.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate?
[(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl] (2R)-2-methylbutanoate is sourced from PubChem (CID 76966091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).