[(Z)-non-2-enyl] propanoate

C12H22O2 — CID 6450502

IUPAC[(Z)-non-2-enyl] propanoate
SMILESCCCCCC/C=C\COC(=O)CC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h9-10H,3-8,11H2,1-2H3/b10-9-
InChIKeyFFZSUDLXHLWPMI-KTKRTIGZSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About [(Z)-non-2-enyl] propanoate

[(Z)-non-2-enyl] propanoate (PubChem CID 6450502) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(Z)-non-2-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] propanoate
PubChem CID6450502
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[(Z)-non-2-enyl] propanoate
SMILESCCCCCC/C=C\COC(=O)CC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h9-10H,3-8,11H2,1-2H3/b10-9-
InChIKeyFFZSUDLXHLWPMI-KTKRTIGZSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
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)-non-2-enyl] propanoate?
The IUPAC name of [(Z)-non-2-enyl] propanoate (CID 6450502) is [(Z)-non-2-enyl] propanoate.
What is the SMILES notation for [(Z)-non-2-enyl] propanoate?
The canonical SMILES for [(Z)-non-2-enyl] propanoate is CCCCCC/C=C\COC(=O)CC.
What is the InChIKey of [(Z)-non-2-enyl] propanoate?
The InChIKey is FFZSUDLXHLWPMI-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h9-10H,3-8,11H2,1-2H3/b10-9-.
What are the key properties of [(Z)-non-2-enyl] propanoate?
[(Z)-non-2-enyl] propanoate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] propanoate is sourced from PubChem (CID 6450502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).