ethyl (E)-9-hydroxy-6-oxonon-2-enoate

C11H18O4 — CID 101401306

IUPACethyl (E)-9-hydroxy-6-oxonon-2-enoate
SMILESCCOC(=O)/C=C/CCC(=O)CCCO
InChIInChI=1S/C11H18O4/c1-2-15-11(14)8-4-3-6-10(13)7-5-9-12/h4,8,12H,2-3,5-7,9H2,1H3/b8-4+
InChIKeyBYXUXZCIZJQJAE-XBXARRHUSA-N
MW214.26 g/mol
LogP1.23
Rot. Bonds8

About ethyl (E)-9-hydroxy-6-oxonon-2-enoate

ethyl (E)-9-hydroxy-6-oxonon-2-enoate (PubChem CID 101401306) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (E)-9-hydroxy-6-oxonon-2-enoate.

Molecular Properties

Compound Nameethyl (E)-9-hydroxy-6-oxonon-2-enoate
PubChem CID101401306
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (E)-9-hydroxy-6-oxonon-2-enoate
SMILESCCOC(=O)/C=C/CCC(=O)CCCO
InChIInChI=1S/C11H18O4/c1-2-15-11(14)8-4-3-6-10(13)7-5-9-12/h4,8,12H,2-3,5-7,9H2,1H3/b8-4+
InChIKeyBYXUXZCIZJQJAE-XBXARRHUSA-N
XLogP1.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl (E)-5-hydroxypent-2-enoate
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ethyl 8-bromooct-2-enoate
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ethyl (E)-7-aminohept-2-enoate
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ethyl tridec-2-enoate
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ethyl (E)-octadec-2-enoate
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CID 140620855
ethyl (E)-5-iodopent-2-enoate
CID 88671590
ethyl (2Z)-deca-2,9-dienoate
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ethyl 4-chlorobut-2-enoate
CID 71354151
ethyl (Z)-pent-2-enoate
CID 11332473

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9-hydroxy-6-oxonon-2-enoate?
The IUPAC name of ethyl (E)-9-hydroxy-6-oxonon-2-enoate (CID 101401306) is ethyl (E)-9-hydroxy-6-oxonon-2-enoate.
What is the SMILES notation for ethyl (E)-9-hydroxy-6-oxonon-2-enoate?
The canonical SMILES for ethyl (E)-9-hydroxy-6-oxonon-2-enoate is CCOC(=O)/C=C/CCC(=O)CCCO.
What is the InChIKey of ethyl (E)-9-hydroxy-6-oxonon-2-enoate?
The InChIKey is BYXUXZCIZJQJAE-XBXARRHUSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-15-11(14)8-4-3-6-10(13)7-5-9-12/h4,8,12H,2-3,5-7,9H2,1H3/b8-4+.
What are the key properties of ethyl (E)-9-hydroxy-6-oxonon-2-enoate?
ethyl (E)-9-hydroxy-6-oxonon-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-9-hydroxy-6-oxonon-2-enoate is sourced from PubChem (CID 101401306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).