2,2,3,3-tetramethylpent-4-enoic acid

C9H16O2 — CID 44514815

IUPAC2,2,3,3-tetramethylpent-4-enoic acid
SMILESC=CC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H16O2/c1-6-8(2,3)9(4,5)7(10)11/h6H,1H2,2-5H3,(H,10,11)
InChIKeyJMXKKJKEIDNRJR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.31
Rot. Bonds3

About 2,2,3,3-tetramethylpent-4-enoic acid

2,2,3,3-tetramethylpent-4-enoic acid (PubChem CID 44514815) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2,3,3-tetramethylpent-4-enoic acid.

Molecular Properties

Compound Name2,2,3,3-tetramethylpent-4-enoic acid
PubChem CID44514815
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,2,3,3-tetramethylpent-4-enoic acid
SMILESC=CC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H16O2/c1-6-8(2,3)9(4,5)7(10)11/h6H,1H2,2-5H3,(H,10,11)
InChIKeyJMXKKJKEIDNRJR-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethylpent-4-enoic acid?
The IUPAC name of 2,2,3,3-tetramethylpent-4-enoic acid (CID 44514815) is 2,2,3,3-tetramethylpent-4-enoic acid.
What is the SMILES notation for 2,2,3,3-tetramethylpent-4-enoic acid?
The canonical SMILES for 2,2,3,3-tetramethylpent-4-enoic acid is C=CC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3,3-tetramethylpent-4-enoic acid?
The InChIKey is JMXKKJKEIDNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-8(2,3)9(4,5)7(10)11/h6H,1H2,2-5H3,(H,10,11).
What are the key properties of 2,2,3,3-tetramethylpent-4-enoic acid?
2,2,3,3-tetramethylpent-4-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethylpent-4-enoic acid is sourced from PubChem (CID 44514815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).