[(E)-7-hydroxyoct-5-enyl] acetate

C10H18O3 — CID 58918248

IUPAC[(E)-7-hydroxyoct-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C/C(C)O
InChIInChI=1S/C10H18O3/c1-9(11)7-5-3-4-6-8-13-10(2)12/h5,7,9,11H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyKEQUDBWYYPMBHU-FNORWQNLSA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds6

About [(E)-7-hydroxyoct-5-enyl] acetate

[(E)-7-hydroxyoct-5-enyl] acetate (PubChem CID 58918248) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(E)-7-hydroxyoct-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-7-hydroxyoct-5-enyl] acetate
PubChem CID58918248
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(E)-7-hydroxyoct-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C/C(C)O
InChIInChI=1S/C10H18O3/c1-9(11)7-5-3-4-6-8-13-10(2)12/h5,7,9,11H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyKEQUDBWYYPMBHU-FNORWQNLSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(E)-7-hydroxyoct-5-enyl] acetate?
The IUPAC name of [(E)-7-hydroxyoct-5-enyl] acetate (CID 58918248) is [(E)-7-hydroxyoct-5-enyl] acetate.
What is the SMILES notation for [(E)-7-hydroxyoct-5-enyl] acetate?
The canonical SMILES for [(E)-7-hydroxyoct-5-enyl] acetate is CC(=O)OCCCC/C=C/C(C)O.
What is the InChIKey of [(E)-7-hydroxyoct-5-enyl] acetate?
The InChIKey is KEQUDBWYYPMBHU-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(11)7-5-3-4-6-8-13-10(2)12/h5,7,9,11H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of [(E)-7-hydroxyoct-5-enyl] acetate?
[(E)-7-hydroxyoct-5-enyl] acetate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-hydroxyoct-5-enyl] acetate is sourced from PubChem (CID 58918248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).