[(2E)-octa-2,7-dienyl] acetate

C10H16O2 — CID 5363376

IUPAC[(2E)-octa-2,7-dienyl] acetate
SMILESC=CCCC/C=C/COC(C)=O
InChIInChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+
InChIKeyRDOHPVPONNHSPH-BQYQJAHWSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds6

About [(2E)-octa-2,7-dienyl] acetate

[(2E)-octa-2,7-dienyl] acetate (PubChem CID 5363376) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(2E)-octa-2,7-dienyl] acetate.

Molecular Properties

Compound Name[(2E)-octa-2,7-dienyl] acetate
PubChem CID5363376
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(2E)-octa-2,7-dienyl] acetate
SMILESC=CCCC/C=C/COC(C)=O
InChIInChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+
InChIKeyRDOHPVPONNHSPH-BQYQJAHWSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-octa-2,7-dienyl] acetate?
The IUPAC name of [(2E)-octa-2,7-dienyl] acetate (CID 5363376) is [(2E)-octa-2,7-dienyl] acetate.
What is the SMILES notation for [(2E)-octa-2,7-dienyl] acetate?
The canonical SMILES for [(2E)-octa-2,7-dienyl] acetate is C=CCCC/C=C/COC(C)=O.
What is the InChIKey of [(2E)-octa-2,7-dienyl] acetate?
The InChIKey is RDOHPVPONNHSPH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+.
What are the key properties of [(2E)-octa-2,7-dienyl] acetate?
[(2E)-octa-2,7-dienyl] acetate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-octa-2,7-dienyl] acetate is sourced from PubChem (CID 5363376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).