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

C15H26O2 — CID 5365850

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
SMILESCCCCC(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
InChIKeyCVSWGLSBJFKWMW-SDNWHVSQSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds8

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

[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate (PubChem CID 5365850) 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] pentanoate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
PubChem CID5365850
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
SMILESCCCCC(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
InChIKeyCVSWGLSBJFKWMW-SDNWHVSQSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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] pentanoate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate (CID 5365850) is [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate is CCCCC(=O)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate?
The InChIKey is CVSWGLSBJFKWMW-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate?
[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 8 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] pentanoate is sourced from PubChem (CID 5365850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).