tert-butyl (2E,4E)-hexa-2,4-dienoate

C10H16O2 — CID 11084286

IUPACtert-butyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKeyDWLJFWYRDKIGKW-BSWSSELBSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl (2E,4E)-hexa-2,4-dienoate

tert-butyl (2E,4E)-hexa-2,4-dienoate (PubChem CID 11084286) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is tert-butyl (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Nametert-butyl (2E,4E)-hexa-2,4-dienoate
PubChem CID11084286
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nametert-butyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKeyDWLJFWYRDKIGKW-BSWSSELBSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of tert-butyl (2E,4E)-hexa-2,4-dienoate (CID 11084286) is tert-butyl (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for tert-butyl (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for tert-butyl (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E,4E)-hexa-2,4-dienoate?
The InChIKey is DWLJFWYRDKIGKW-BSWSSELBSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-8H,1-4H3/b6-5+,8-7+.
What are the key properties of tert-butyl (2E,4E)-hexa-2,4-dienoate?
tert-butyl (2E,4E)-hexa-2,4-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 11084286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).