3,7-dimethylocta-2,6-dienyl 2-methylpropanoate

C14H24O2 — CID 16864

IUPAC3,7-dimethylocta-2,6-dienyl 2-methylpropanoate
SMILESCC(C)=CCCC(C)=CCOC(=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
InChIKeyOGJYXQFXLSCKTP-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.88
Rot. Bonds6

About 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate

3,7-dimethylocta-2,6-dienyl 2-methylpropanoate (PubChem CID 16864) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate.

Molecular Properties

Compound Name3,7-dimethylocta-2,6-dienyl 2-methylpropanoate
PubChem CID16864
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3,7-dimethylocta-2,6-dienyl 2-methylpropanoate
SMILESCC(C)=CCCC(C)=CCOC(=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
InChIKeyOGJYXQFXLSCKTP-UHFFFAOYSA-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 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate?
The IUPAC name of 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate (CID 16864) is 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate.
What is the SMILES notation for 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate?
The canonical SMILES for 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate is CC(C)=CCCC(C)=CCOC(=O)C(C)C.
What is the InChIKey of 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate?
The InChIKey is OGJYXQFXLSCKTP-UHFFFAOYSA-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.
What are the key properties of 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate?
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 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate is sourced from PubChem (CID 16864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).