[(6R)-6-hydroxyoct-7-enyl] acetate

C10H18O3 — CID 165358135

IUPAC[(6R)-6-hydroxyoct-7-enyl] acetate
SMILESC=C[C@H](O)CCCCCOC(C)=O
InChIInChI=1S/C10H18O3/c1-3-10(12)7-5-4-6-8-13-9(2)11/h3,10,12H,1,4-8H2,2H3/t10-/m0/s1
InChIKeyYIPAHNYLKMGUJC-JTQLQIEISA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds7

About [(6R)-6-hydroxyoct-7-enyl] acetate

[(6R)-6-hydroxyoct-7-enyl] acetate (PubChem CID 165358135) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(6R)-6-hydroxyoct-7-enyl] acetate.

Molecular Properties

Compound Name[(6R)-6-hydroxyoct-7-enyl] acetate
PubChem CID165358135
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(6R)-6-hydroxyoct-7-enyl] acetate
SMILESC=C[C@H](O)CCCCCOC(C)=O
InChIInChI=1S/C10H18O3/c1-3-10(12)7-5-4-6-8-13-9(2)11/h3,10,12H,1,4-8H2,2H3/t10-/m0/s1
InChIKeyYIPAHNYLKMGUJC-JTQLQIEISA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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 [(6R)-6-hydroxyoct-7-enyl] acetate?
The IUPAC name of [(6R)-6-hydroxyoct-7-enyl] acetate (CID 165358135) is [(6R)-6-hydroxyoct-7-enyl] acetate.
What is the SMILES notation for [(6R)-6-hydroxyoct-7-enyl] acetate?
The canonical SMILES for [(6R)-6-hydroxyoct-7-enyl] acetate is C=C[C@H](O)CCCCCOC(C)=O.
What is the InChIKey of [(6R)-6-hydroxyoct-7-enyl] acetate?
The InChIKey is YIPAHNYLKMGUJC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18O3/c1-3-10(12)7-5-4-6-8-13-9(2)11/h3,10,12H,1,4-8H2,2H3/t10-/m0/s1.
What are the key properties of [(6R)-6-hydroxyoct-7-enyl] acetate?
[(6R)-6-hydroxyoct-7-enyl] acetate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-hydroxyoct-7-enyl] acetate is sourced from PubChem (CID 165358135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).