[(Z)-oct-2-enyl] acetate

C10H18O2 — CID 12807117

IUPAC[(Z)-oct-2-enyl] acetate
SMILESCCCCC/C=C\COC(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-
InChIKeyMBRLTLPMVMFRTJ-FPLPWBNLSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds6

About [(Z)-oct-2-enyl] acetate

[(Z)-oct-2-enyl] acetate (PubChem CID 12807117) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(Z)-oct-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-oct-2-enyl] acetate
PubChem CID12807117
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(Z)-oct-2-enyl] acetate
SMILESCCCCC/C=C\COC(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-
InChIKeyMBRLTLPMVMFRTJ-FPLPWBNLSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
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)-oct-2-enyl] acetate?
The IUPAC name of [(Z)-oct-2-enyl] acetate (CID 12807117) is [(Z)-oct-2-enyl] acetate.
What is the SMILES notation for [(Z)-oct-2-enyl] acetate?
The canonical SMILES for [(Z)-oct-2-enyl] acetate is CCCCC/C=C\COC(C)=O.
What is the InChIKey of [(Z)-oct-2-enyl] acetate?
The InChIKey is MBRLTLPMVMFRTJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-.
What are the key properties of [(Z)-oct-2-enyl] acetate?
[(Z)-oct-2-enyl] acetate has a molecular weight of 170.25 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-oct-2-enyl] acetate is sourced from PubChem (CID 12807117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).