ethyl 11-methyl-7-oxododec-10-enoate

C15H26O3 — CID 71388435

IUPACethyl 11-methyl-7-oxododec-10-enoate
SMILESCCOC(=O)CCCCCC(=O)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-4-18-15(17)12-7-5-6-10-14(16)11-8-9-13(2)3/h9H,4-8,10-12H2,1-3H3
InChIKeyIOYWFXRLRAGHSR-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.82
Rot. Bonds10

About ethyl 11-methyl-7-oxododec-10-enoate

ethyl 11-methyl-7-oxododec-10-enoate (PubChem CID 71388435) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 11-methyl-7-oxododec-10-enoate.

Molecular Properties

Compound Nameethyl 11-methyl-7-oxododec-10-enoate
PubChem CID71388435
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl 11-methyl-7-oxododec-10-enoate
SMILESCCOC(=O)CCCCCC(=O)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-4-18-15(17)12-7-5-6-10-14(16)11-8-9-13(2)3/h9H,4-8,10-12H2,1-3H3
InChIKeyIOYWFXRLRAGHSR-UHFFFAOYSA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

diethyl icosanedioate
CID 5058538
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl (6E,10E)-7,11,15-trimethyl-3-oxohexadeca-6,10,14-trienoate
CID 10969697
ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 54120364
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
diethyl hexanedioate
CID 160747628
(6E,10E)-2,6,10-trimethylnonacosa-2,6,10-trien-14-one
CID 11442518
ethyl 9-methyl-7-oxodec-8-enoate
CID 24976215
sodium;diethyl decanedioate;hydride
CID 173076435
3,7-dimethylocta-2,6-dienyl pentadecanoate
CID 173120607
[(2E)-3,7-dimethylocta-2,6-dienyl] dodecanoate
CID 6114709
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanedioate
CID 102530693

Frequently Asked Questions

What is the IUPAC name of ethyl 11-methyl-7-oxododec-10-enoate?
The IUPAC name of ethyl 11-methyl-7-oxododec-10-enoate (CID 71388435) is ethyl 11-methyl-7-oxododec-10-enoate.
What is the SMILES notation for ethyl 11-methyl-7-oxododec-10-enoate?
The canonical SMILES for ethyl 11-methyl-7-oxododec-10-enoate is CCOC(=O)CCCCCC(=O)CCC=C(C)C.
What is the InChIKey of ethyl 11-methyl-7-oxododec-10-enoate?
The InChIKey is IOYWFXRLRAGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-18-15(17)12-7-5-6-10-14(16)11-8-9-13(2)3/h9H,4-8,10-12H2,1-3H3.
What are the key properties of ethyl 11-methyl-7-oxododec-10-enoate?
ethyl 11-methyl-7-oxododec-10-enoate has a molecular weight of 254.37 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-methyl-7-oxododec-10-enoate is sourced from PubChem (CID 71388435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).