tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate

C16H26O3 — CID 134993614

IUPACtert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate
SMILESCC(C)/C=C\C=C\CCC(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H26O3/c1-13(2)10-8-6-7-9-11-14(17)12-15(18)19-16(3,4)5/h6-8,10,13H,9,11-12H2,1-5H3/b7-6+,10-8-
InChIKeyKKTQRSYDSBESSK-QDJLDCPTSA-N
MW266.38 g/mol
LogP3.84
Rot. Bonds7

About tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate

tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate (PubChem CID 134993614) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate.

Molecular Properties

Compound Nametert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate
PubChem CID134993614
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Nametert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate
SMILESCC(C)/C=C\C=C\CCC(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H26O3/c1-13(2)10-8-6-7-9-11-14(17)12-15(18)19-16(3,4)5/h6-8,10,13H,9,11-12H2,1-5H3/b7-6+,10-8-
InChIKeyKKTQRSYDSBESSK-QDJLDCPTSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-oxodeca-6,8-dienoate
CID 53968723
6-Heptenoic acid, 3-oxo-, 1,1-dimethylethyl ester
CID 10774338
methyl (E)-3-oxonon-6-enoate
CID 11458093
ethyl (E)-3-oxooct-6-enoate
CID 12737991
ditert-butyl 2-[(E)-hex-4-enyl]propanedioate
CID 134864383
tert-butyl (6E,8Z)-3-oxopentadeca-6,8-dienoate
CID 134983134
tert-butyl (6E)-nona-6,8-dienoate
CID 10081858
ditert-butyl 2-[(3E)-hexa-3,5-dienyl]propanedioate
CID 10402330
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
tert-butyl (6E,8E)-3,5-dioxodeca-6,8-dienoate
CID 14222373
(E)-Ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11821561
tert-butyl (6E,9E,12E)-18-bromo-3-oxooctadeca-6,9,12-trienoate
CID 19973247

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate?
The IUPAC name of tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate (CID 134993614) is tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate.
What is the SMILES notation for tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate?
The canonical SMILES for tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate is CC(C)/C=C\C=C\CCC(=O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate?
The InChIKey is KKTQRSYDSBESSK-QDJLDCPTSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(2)10-8-6-7-9-11-14(17)12-15(18)19-16(3,4)5/h6-8,10,13H,9,11-12H2,1-5H3/b7-6+,10-8-.
What are the key properties of tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate?
tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate has a molecular weight of 266.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6E,8Z)-10-methyl-3-oxoundeca-6,8-dienoate is sourced from PubChem (CID 134993614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).