2-ethenyl-8,8-dimethylnonanoic acid

C13H24O2 — CID 54149492

IUPAC2-ethenyl-8,8-dimethylnonanoic acid
SMILESC=CC(CCCCCC(C)(C)C)C(=O)O
InChIInChI=1S/C13H24O2/c1-5-11(12(14)15)9-7-6-8-10-13(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,14,15)
InChIKeyOGTFAJPMZBQIFO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.87
Rot. Bonds7

About 2-ethenyl-8,8-dimethylnonanoic acid

2-ethenyl-8,8-dimethylnonanoic acid (PubChem CID 54149492) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethenyl-8,8-dimethylnonanoic acid.

Molecular Properties

Compound Name2-ethenyl-8,8-dimethylnonanoic acid
PubChem CID54149492
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethenyl-8,8-dimethylnonanoic acid
SMILESC=CC(CCCCCC(C)(C)C)C(=O)O
InChIInChI=1S/C13H24O2/c1-5-11(12(14)15)9-7-6-8-10-13(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,14,15)
InChIKeyOGTFAJPMZBQIFO-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-ethenyl-7-iminoheptanoic acid
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(6,6-dimethyl-1-prop-2-enoyloxyheptyl) prop-2-enoate
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2-ethenyl-6-ethoxy-6-oxohexanoic acid
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6,6-dimethylheptanoic acid;7-methyloctanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-8,8-dimethylnonanoic acid?
The IUPAC name of 2-ethenyl-8,8-dimethylnonanoic acid (CID 54149492) is 2-ethenyl-8,8-dimethylnonanoic acid.
What is the SMILES notation for 2-ethenyl-8,8-dimethylnonanoic acid?
The canonical SMILES for 2-ethenyl-8,8-dimethylnonanoic acid is C=CC(CCCCCC(C)(C)C)C(=O)O.
What is the InChIKey of 2-ethenyl-8,8-dimethylnonanoic acid?
The InChIKey is OGTFAJPMZBQIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-11(12(14)15)9-7-6-8-10-13(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,14,15).
What are the key properties of 2-ethenyl-8,8-dimethylnonanoic acid?
2-ethenyl-8,8-dimethylnonanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-8,8-dimethylnonanoic acid is sourced from PubChem (CID 54149492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).