2-ethenyl-2-methylhexanoic acid

C9H16O2 — CID 15355373

IUPAC2-ethenyl-2-methylhexanoic acid
SMILESC=CC(C)(CCCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-4-6-7-9(3,5-2)8(10)11/h5H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyRGFHKUYAJWGVJT-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds5

About 2-ethenyl-2-methylhexanoic acid

2-ethenyl-2-methylhexanoic acid (PubChem CID 15355373) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethenyl-2-methylhexanoic acid.

Molecular Properties

Compound Name2-ethenyl-2-methylhexanoic acid
PubChem CID15355373
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethenyl-2-methylhexanoic acid
SMILESC=CC(C)(CCCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-4-6-7-9(3,5-2)8(10)11/h5H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyRGFHKUYAJWGVJT-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethylhept-6-enoic acid
CID 15680403
1-Methylcyclohex-2-ene-1-carboxylic acid
CID 3427459
2,2-Dimethyl-5-hexenoic acid
CID 10582886
3-Ethenyl-3,7-dimethyloct-6-enoic acid
CID 13128171
1-Ethenylcyclopentane-1-carboxylic acid
CID 17802802
(3R)-3-methylhept-6-enoic acid
CID 11018976
(2S)-2-methylhept-6-enoic Acid
CID 11018977
(3S)-3-methylhept-6-enoic acid
CID 11815469
2-Prop-2-enylhexanoic acid
CID 13010742
2-Methylhept-6-enoic acid
CID 13128941
a-Vinylhexanoic acid
CID 15355371
2-Ethenyl-4,4-dimethylpentanoic acid
CID 20059623

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methylhexanoic acid?
The IUPAC name of 2-ethenyl-2-methylhexanoic acid (CID 15355373) is 2-ethenyl-2-methylhexanoic acid.
What is the SMILES notation for 2-ethenyl-2-methylhexanoic acid?
The canonical SMILES for 2-ethenyl-2-methylhexanoic acid is C=CC(C)(CCCC)C(=O)O.
What is the InChIKey of 2-ethenyl-2-methylhexanoic acid?
The InChIKey is RGFHKUYAJWGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-7-9(3,5-2)8(10)11/h5H,2,4,6-7H2,1,3H3,(H,10,11).
What are the key properties of 2-ethenyl-2-methylhexanoic acid?
2-ethenyl-2-methylhexanoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methylhexanoic acid is sourced from PubChem (CID 15355373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).