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

C7H10Cl2O2 — CID 14074824

IUPAC2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(Cl)(Cl)C1(C)C(=O)O
InChIInChI=1S/C7H10Cl2O2/c1-5(2)6(3,4(10)11)7(5,8)9/h1-3H3,(H,10,11)
InChIKeyQUUCYNZLESHPON-UHFFFAOYSA-N
MW197.06 g/mol
LogP2.29
Rot. Bonds1

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

2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid (PubChem CID 14074824) has the molecular formula C7H10Cl2O2 and a molecular weight of 197.06 g/mol. Its IUPAC name is 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid
PubChem CID14074824
Molecular FormulaC7H10Cl2O2
Molecular Weight197.06 g/mol
Exact Mass196.01
IUPAC Name2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(Cl)(Cl)C1(C)C(=O)O
InChIInChI=1S/C7H10Cl2O2/c1-5(2)6(3,4(10)11)7(5,8)9/h1-3H3,(H,10,11)
InChIKeyQUUCYNZLESHPON-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid (CID 14074824) is 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid is CC1(C)C(Cl)(Cl)C1(C)C(=O)O.
What is the InChIKey of 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid?
The InChIKey is QUUCYNZLESHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2O2/c1-5(2)6(3,4(10)11)7(5,8)9/h1-3H3,(H,10,11).
What are the key properties of 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid?
2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid has a molecular weight of 197.06 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,3,3-trimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 14074824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).