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

C6H8Cl2O2 — CID 13313085

IUPAC2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(Cl)Cl
InChIInChI=1S/C6H8Cl2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKeyYUBCVMNXGPVXID-UHFFFAOYSA-N
MW183.03 g/mol
LogP1.90
Rot. Bonds1

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

2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 13313085) has the molecular formula C6H8Cl2O2 and a molecular weight of 183.03 g/mol. Its IUPAC name is 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID13313085
Molecular FormulaC6H8Cl2O2
Molecular Weight183.03 g/mol
Exact Mass181.99
IUPAC Name2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(Cl)Cl
InChIInChI=1S/C6H8Cl2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKeyYUBCVMNXGPVXID-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.03
LogP ≤ 51.90
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

1-Chloro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
CID 13674404
2-(2,2-Dichlorocyclopropyl)acetic acid
CID 18475321
1-Chloro-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57016937
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
2,2-Dichloro-3,3-diethylcyclopropane-1-carboxylic acid
CID 19898052
Cis-(2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic Acid
CID 12546555
trans-3-Methyl-2,2-dichlorocyclopropanecarboxylic
CID 67897289
2,2-Dichloro-3-methyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 19898048
2,2-Dichloro-1-fluoro-3,3-dimethylcyclopropane-1-carboxylic acid
CID 19898053
3-[Chloro(difluoro)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56998473
2-Chloro-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 57022399

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid (CID 13313085) is 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is YUBCVMNXGPVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10).
What are the key properties of 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid?
2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 183.03 g/mol, XLogP of 1.90, 1 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-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 13313085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).