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

C14H24O2 — CID 6086514

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
SMILESCC(C)=CCC/C(C)=C/COC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChIKeyOGJYXQFXLSCKTP-UKTHLTGXSA-N
MW224.34 g/mol
LogP3.88
Rot. Bonds6

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

[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate (PubChem CID 6086514) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
PubChem CID6086514
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
SMILESCC(C)=CCC/C(C)=C/COC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChIKeyOGJYXQFXLSCKTP-UKTHLTGXSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.88
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] 2-methylpropanoate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate (CID 6086514) is [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate is CC(C)=CCC/C(C)=C/COC(=O)C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate?
The InChIKey is OGJYXQFXLSCKTP-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate?
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate has a molecular weight of 224.34 g/mol, XLogP of 3.88, 6 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] 2-methylpropanoate is sourced from PubChem (CID 6086514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).