2,2,3,5-tetramethylhexa-3,4-dienoic acid

C10H16O2 — CID 171726826

IUPAC2,2,3,5-tetramethylhexa-3,4-dienoic acid
SMILESCC(C)=C=C(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H16O2/c1-7(2)6-8(3)10(4,5)9(11)12/h1-5H3,(H,11,12)
InChIKeyGVJOWDYTUTYICW-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.61
Rot. Bonds2

About 2,2,3,5-tetramethylhexa-3,4-dienoic acid

2,2,3,5-tetramethylhexa-3,4-dienoic acid (PubChem CID 171726826) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2,3,5-tetramethylhexa-3,4-dienoic acid.

Molecular Properties

Compound Name2,2,3,5-tetramethylhexa-3,4-dienoic acid
PubChem CID171726826
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2,3,5-tetramethylhexa-3,4-dienoic acid
SMILESCC(C)=C=C(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H16O2/c1-7(2)6-8(3)10(4,5)9(11)12/h1-5H3,(H,11,12)
InChIKeyGVJOWDYTUTYICW-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-dimethylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetramethylhexa-3,4-dienoic acid?
The IUPAC name of 2,2,3,5-tetramethylhexa-3,4-dienoic acid (CID 171726826) is 2,2,3,5-tetramethylhexa-3,4-dienoic acid.
What is the SMILES notation for 2,2,3,5-tetramethylhexa-3,4-dienoic acid?
The canonical SMILES for 2,2,3,5-tetramethylhexa-3,4-dienoic acid is CC(C)=C=C(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3,5-tetramethylhexa-3,4-dienoic acid?
The InChIKey is GVJOWDYTUTYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)6-8(3)10(4,5)9(11)12/h1-5H3,(H,11,12).
What are the key properties of 2,2,3,5-tetramethylhexa-3,4-dienoic acid?
2,2,3,5-tetramethylhexa-3,4-dienoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethylhexa-3,4-dienoic acid is sourced from PubChem (CID 171726826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).