3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid

C8H12O2 — CID 565378

IUPAC3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESC=CC1C(C(=O)O)C1(C)C
InChIInChI=1S/C8H12O2/c1-4-5-6(7(9)10)8(5,2)3/h4-6H,1H2,2-3H3,(H,9,10)
InChIKeyCAOJXVMGSRHFGB-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.53
Rot. Bonds2

About 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid

3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 565378) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID565378
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESC=CC1C(C(=O)O)C1(C)C
InChIInChI=1S/C8H12O2/c1-4-5-6(7(9)10)8(5,2)3/h4-6H,1H2,2-3H3,(H,9,10)
InChIKeyCAOJXVMGSRHFGB-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.53
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 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid (CID 565378) is 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid is C=CC1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is CAOJXVMGSRHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-5-6(7(9)10)8(5,2)3/h4-6H,1H2,2-3H3,(H,9,10).
What are the key properties of 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid?
3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 565378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).