methyl (E)-10-oxodec-8-enoate

C11H18O3 — CID 5362752

IUPACmethyl (E)-10-oxodec-8-enoate
SMILESCOC(=O)CCCCCC/C=C/C=O
InChIInChI=1S/C11H18O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6,8,10H,2-5,7,9H2,1H3/b8-6+
InChIKeyMRYISIMMTIXZMC-SOFGYWHQSA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds8

About methyl (E)-10-oxodec-8-enoate

methyl (E)-10-oxodec-8-enoate (PubChem CID 5362752) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (E)-10-oxodec-8-enoate.

Molecular Properties

Compound Namemethyl (E)-10-oxodec-8-enoate
PubChem CID5362752
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (E)-10-oxodec-8-enoate
SMILESCOC(=O)CCCCCC/C=C/C=O
InChIInChI=1S/C11H18O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6,8,10H,2-5,7,9H2,1H3/b8-6+
InChIKeyMRYISIMMTIXZMC-SOFGYWHQSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-7-oxohept-5-enoate
CID 10920751
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172
methyl hexadeca-9,11-dienoate
CID 71381501
methyl (9E,11E,13E)-octadeca-9,11,13-trienoate
CID 6433658
methyl (E)-19-iodononadec-18-enoate
CID 13463205
methyl (E)-11-iodoundec-10-enoate
CID 12653836
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl 13-oxotridecanoate
CID 10331995
methyl 10-oxodecanoate
CID 519005
methyl (E)-12-oxododec-9-enoate
CID 5364512

Frequently Asked Questions

What is the IUPAC name of methyl (E)-10-oxodec-8-enoate?
The IUPAC name of methyl (E)-10-oxodec-8-enoate (CID 5362752) is methyl (E)-10-oxodec-8-enoate.
What is the SMILES notation for methyl (E)-10-oxodec-8-enoate?
The canonical SMILES for methyl (E)-10-oxodec-8-enoate is COC(=O)CCCCCC/C=C/C=O.
What is the InChIKey of methyl (E)-10-oxodec-8-enoate?
The InChIKey is MRYISIMMTIXZMC-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H18O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6,8,10H,2-5,7,9H2,1H3/b8-6+.
What are the key properties of methyl (E)-10-oxodec-8-enoate?
methyl (E)-10-oxodec-8-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-10-oxodec-8-enoate is sourced from PubChem (CID 5362752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).