tert-butyl (2E,8E)-undeca-2,8-dienoate

C15H26O2 — CID 173151542

IUPACtert-butyl (2E,8E)-undeca-2,8-dienoate
SMILESCC/C=C/CCCC/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b7-6+,13-12+
InChIKeyXJHKKHVRPDRIKG-GYIPPJPDSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds7

About tert-butyl (2E,8E)-undeca-2,8-dienoate

tert-butyl (2E,8E)-undeca-2,8-dienoate (PubChem CID 173151542) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is tert-butyl (2E,8E)-undeca-2,8-dienoate.

Molecular Properties

Compound Nametert-butyl (2E,8E)-undeca-2,8-dienoate
PubChem CID173151542
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nametert-butyl (2E,8E)-undeca-2,8-dienoate
SMILESCC/C=C/CCCC/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b7-6+,13-12+
InChIKeyXJHKKHVRPDRIKG-GYIPPJPDSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl (2E,8E)-deca-2,8-dienedioate
CID 11266898
tert-butyl dec-2-enoate
CID 71411738
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
tert-butyl (E)-6-nitrohex-2-enoate
CID 102319792
tert-butyl (2E)-hepta-2,6-dienoate
CID 10986921
undeca-2,8-dienoic acid
CID 86068100
tert-butyl 6-hydroxyhept-2-enoate
CID 123534206
tert-butyl (E)-2-methylnon-6-enoate
CID 163879727
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
tert-butyl 4-iodobut-2-enoate
CID 86037302
icosa-2,17-dienoic acid
CID 173056389
tert-butyl 2-icosa-5,8,11,14,17-pentaenoxy-2-methylpropanoate
CID 91069053

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E,8E)-undeca-2,8-dienoate?
The IUPAC name of tert-butyl (2E,8E)-undeca-2,8-dienoate (CID 173151542) is tert-butyl (2E,8E)-undeca-2,8-dienoate.
What is the SMILES notation for tert-butyl (2E,8E)-undeca-2,8-dienoate?
The canonical SMILES for tert-butyl (2E,8E)-undeca-2,8-dienoate is CC/C=C/CCCC/C=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E,8E)-undeca-2,8-dienoate?
The InChIKey is XJHKKHVRPDRIKG-GYIPPJPDSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b7-6+,13-12+.
What are the key properties of tert-butyl (2E,8E)-undeca-2,8-dienoate?
tert-butyl (2E,8E)-undeca-2,8-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E,8E)-undeca-2,8-dienoate is sourced from PubChem (CID 173151542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).