2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid

C8H12Cl2O2 — CID 19898052

IUPAC2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid
SMILESCCC1(CC)C(C(=O)O)C1(Cl)Cl
InChIInChI=1S/C8H12Cl2O2/c1-3-7(4-2)5(6(11)12)8(7,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyGCRSJMPLMDOCLE-UHFFFAOYSA-N
MW211.09 g/mol
LogP2.68
Rot. Bonds3

About 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid

2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid (PubChem CID 19898052) has the molecular formula C8H12Cl2O2 and a molecular weight of 211.09 g/mol. Its IUPAC name is 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid
PubChem CID19898052
Molecular FormulaC8H12Cl2O2
Molecular Weight211.09 g/mol
Exact Mass210.02
IUPAC Name2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid
SMILESCCC1(CC)C(C(=O)O)C1(Cl)Cl
InChIInChI=1S/C8H12Cl2O2/c1-3-7(4-2)5(6(11)12)8(7,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyGCRSJMPLMDOCLE-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopropanecarboxylic acid, 2,2-dichloro-3,3-dimethyl-
CID 13313085
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester
CID 108413
3-Cyclopropyl-3-methylbutanoic acid
CID 55303305
2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic Acid-"cis major"
CID 12546554
2,2-Dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid
CID 14074824
3-(2,2-Dichloro-3,3,3-trifluoropropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13075896
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel-
CID 12607839
3-(2,2-Dichlorocyclopropyl)propanoic acid
CID 122163708
Methyl 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate
CID 11557959
Cis-(2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic Acid
CID 12546555
trans-(1R,3S)-3-(2,2-dichloro-3,3,3-trifluoropropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 11108685
4,6,6,6-Tetrachloro-3,3-dimethylhexanoic acid
CID 19786034

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid (CID 19898052) is 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid is CCC1(CC)C(C(=O)O)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid?
The InChIKey is GCRSJMPLMDOCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2O2/c1-3-7(4-2)5(6(11)12)8(7,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid?
2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid has a molecular weight of 211.09 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 19898052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).