methyl 6-ethyl-3-oxonon-8-enoate

C12H20O3 — CID 10703768

IUPACmethyl 6-ethyl-3-oxonon-8-enoate
SMILESC=CCC(CC)CCC(=O)CC(=O)OC
InChIInChI=1S/C12H20O3/c1-4-6-10(5-2)7-8-11(13)9-12(14)15-3/h4,10H,1,5-9H2,2-3H3
InChIKeyZBJCFJFBKHQZMA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.50
Rot. Bonds8

About methyl 6-ethyl-3-oxonon-8-enoate

methyl 6-ethyl-3-oxonon-8-enoate (PubChem CID 10703768) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 6-ethyl-3-oxonon-8-enoate.

Molecular Properties

Compound Namemethyl 6-ethyl-3-oxonon-8-enoate
PubChem CID10703768
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namemethyl 6-ethyl-3-oxonon-8-enoate
SMILESC=CCC(CC)CCC(=O)CC(=O)OC
InChIInChI=1S/C12H20O3/c1-4-6-10(5-2)7-8-11(13)9-12(14)15-3/h4,10H,1,5-9H2,2-3H3
InChIKeyZBJCFJFBKHQZMA-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
CID 300027
Ethyl 2-methyl-3-oxohept-6-enoate
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Ethyl (R)-1-Allyl-2-oxocyclohexanecarboxylate
CID 11106631
7-Octenoic acid, 3-oxo-, methyl ester
CID 11344242
Ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-oxo-2-prop-2-enyldecanoate
CID 14740118
dimethyl 2-[(1S)-1-cyclohexylprop-2-enyl]-2-fluoropropanedioate
CID 134967704
(3S,4S)-3-non-8-enyl-4-propyl-oxetan-2-one
CID 86576803
Methyl 5-methylidene-2-oxocyclohexane-1-carboxylate
CID 10866728
Ethyl alpha-acetyl-2-cyclohexene-1-acetate
CID 11009195
Methyl 2-methyl-3-oxohept-6-enoate
CID 11147973
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061
Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate
CID 13676928

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-3-oxonon-8-enoate?
The IUPAC name of methyl 6-ethyl-3-oxonon-8-enoate (CID 10703768) is methyl 6-ethyl-3-oxonon-8-enoate.
What is the SMILES notation for methyl 6-ethyl-3-oxonon-8-enoate?
The canonical SMILES for methyl 6-ethyl-3-oxonon-8-enoate is C=CCC(CC)CCC(=O)CC(=O)OC.
What is the InChIKey of methyl 6-ethyl-3-oxonon-8-enoate?
The InChIKey is ZBJCFJFBKHQZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-6-10(5-2)7-8-11(13)9-12(14)15-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of methyl 6-ethyl-3-oxonon-8-enoate?
methyl 6-ethyl-3-oxonon-8-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-3-oxonon-8-enoate is sourced from PubChem (CID 10703768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).