[(E)-2-ethylnon-2-enyl] acetate

C13H24O2 — CID 88547353

IUPAC[(E)-2-ethylnon-2-enyl] acetate
SMILESCCCCCC/C=C(\CC)COC(C)=O
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-13(5-2)11-15-12(3)14/h10H,4-9,11H2,1-3H3/b13-10+
InChIKeyWBOWQHAYJXMVLP-JLHYYAGUSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds8

About [(E)-2-ethylnon-2-enyl] acetate

[(E)-2-ethylnon-2-enyl] acetate (PubChem CID 88547353) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(E)-2-ethylnon-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-ethylnon-2-enyl] acetate
PubChem CID88547353
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(E)-2-ethylnon-2-enyl] acetate
SMILESCCCCCC/C=C(\CC)COC(C)=O
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-13(5-2)11-15-12(3)14/h10H,4-9,11H2,1-3H3/b13-10+
InChIKeyWBOWQHAYJXMVLP-JLHYYAGUSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
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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Related Compounds

[(E)-2-ethylhept-2-enyl] acetate
CID 88547384
2-methyldec-2-enyl acetate
CID 123999734
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
CID 11086836
2-methylnon-2-enyl propanoate
CID 5066536
6-ethyltridec-6-ene
CID 123238287
(Z)-2-ethyldec-2-en-1-ol
CID 13479207
5-ethyltetradec-5-ene
CID 54129215
(Z)-7-ethyltetradec-7-ene
CID 134978641
[(E)-1,1,1-trifluorododec-2-en-2-yl] acetate
CID 11369498
[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate
CID 177488051
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethylnon-2-enyl] acetate?
The IUPAC name of [(E)-2-ethylnon-2-enyl] acetate (CID 88547353) is [(E)-2-ethylnon-2-enyl] acetate.
What is the SMILES notation for [(E)-2-ethylnon-2-enyl] acetate?
The canonical SMILES for [(E)-2-ethylnon-2-enyl] acetate is CCCCCC/C=C(\CC)COC(C)=O.
What is the InChIKey of [(E)-2-ethylnon-2-enyl] acetate?
The InChIKey is WBOWQHAYJXMVLP-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-10-13(5-2)11-15-12(3)14/h10H,4-9,11H2,1-3H3/b13-10+.
What are the key properties of [(E)-2-ethylnon-2-enyl] acetate?
[(E)-2-ethylnon-2-enyl] acetate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethylnon-2-enyl] acetate is sourced from PubChem (CID 88547353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).