non-8-enyl acetate

C11H20O2 — CID 15673852

IUPACnon-8-enyl acetate
SMILESC=CCCCCCCCOC(C)=O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3H,1,4-10H2,2H3
InChIKeyHUXQMCFHKGATCP-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds8

About non-8-enyl acetate

non-8-enyl acetate (PubChem CID 15673852) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is non-8-enyl acetate.

Molecular Properties

Compound Namenon-8-enyl acetate
PubChem CID15673852
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namenon-8-enyl acetate
SMILESC=CCCCCCCCOC(C)=O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3H,1,4-10H2,2H3
InChIKeyHUXQMCFHKGATCP-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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 non-8-enyl acetate?
The IUPAC name of non-8-enyl acetate (CID 15673852) is non-8-enyl acetate.
What is the SMILES notation for non-8-enyl acetate?
The canonical SMILES for non-8-enyl acetate is C=CCCCCCCCOC(C)=O.
What is the InChIKey of non-8-enyl acetate?
The InChIKey is HUXQMCFHKGATCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3H,1,4-10H2,2H3.
What are the key properties of non-8-enyl acetate?
non-8-enyl acetate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-enyl acetate is sourced from PubChem (CID 15673852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).