2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid

C10H12Cl2O2 — CID 20533205

IUPAC2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESC=C(Cl)C1(C(=C)Cl)C(C(=O)O)C1(C)C
InChIInChI=1S/C10H12Cl2O2/c1-5(11)10(6(2)12)7(8(13)14)9(10,3)4/h7H,1-2H2,3-4H3,(H,13,14)
InChIKeyUULXBUIFESVDCZ-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.22
Rot. Bonds3

About 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid

2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 20533205) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID20533205
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESC=C(Cl)C1(C(=C)Cl)C(C(=O)O)C1(C)C
InChIInChI=1S/C10H12Cl2O2/c1-5(11)10(6(2)12)7(8(13)14)9(10,3)4/h7H,1-2H2,3-4H3,(H,13,14)
InChIKeyUULXBUIFESVDCZ-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid (CID 20533205) is 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid is C=C(Cl)C1(C(=C)Cl)C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is UULXBUIFESVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-5(11)10(6(2)12)7(8(13)14)9(10,3)4/h7H,1-2H2,3-4H3,(H,13,14).
What are the key properties of 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid?
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 235.11 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 20533205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).