[(Z)-1-cyclopentyloct-2-enyl] acetate

C15H26O2 — CID 10847551

IUPAC[(Z)-1-cyclopentyloct-2-enyl] acetate
SMILESCCCCC/C=C\C(OC(C)=O)C1CCCC1
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-12-15(17-13(2)16)14-10-8-9-11-14/h7,12,14-15H,3-6,8-11H2,1-2H3/b12-7-
InChIKeyOAWKFFJRIXJDBU-GHXNOFRVSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds7

About [(Z)-1-cyclopentyloct-2-enyl] acetate

[(Z)-1-cyclopentyloct-2-enyl] acetate (PubChem CID 10847551) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(Z)-1-cyclopentyloct-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-1-cyclopentyloct-2-enyl] acetate
PubChem CID10847551
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(Z)-1-cyclopentyloct-2-enyl] acetate
SMILESCCCCC/C=C\C(OC(C)=O)C1CCCC1
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-12-15(17-13(2)16)14-10-8-9-11-14/h7,12,14-15H,3-6,8-11H2,1-2H3/b12-7-
InChIKeyOAWKFFJRIXJDBU-GHXNOFRVSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
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 [(Z)-1-cyclopentyloct-2-enyl] acetate?
The IUPAC name of [(Z)-1-cyclopentyloct-2-enyl] acetate (CID 10847551) is [(Z)-1-cyclopentyloct-2-enyl] acetate.
What is the SMILES notation for [(Z)-1-cyclopentyloct-2-enyl] acetate?
The canonical SMILES for [(Z)-1-cyclopentyloct-2-enyl] acetate is CCCCC/C=C\C(OC(C)=O)C1CCCC1.
What is the InChIKey of [(Z)-1-cyclopentyloct-2-enyl] acetate?
The InChIKey is OAWKFFJRIXJDBU-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-12-15(17-13(2)16)14-10-8-9-11-14/h7,12,14-15H,3-6,8-11H2,1-2H3/b12-7-.
What are the key properties of [(Z)-1-cyclopentyloct-2-enyl] acetate?
[(Z)-1-cyclopentyloct-2-enyl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-cyclopentyloct-2-enyl] acetate is sourced from PubChem (CID 10847551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).