1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C8H10Br2O2 — CID 19099689

IUPAC1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C=C(Br)Br)C(=O)O
InChIInChI=1S/C8H10Br2O2/c1-7(2)4-8(7,6(11)12)3-5(9)10/h3H,4H2,1-2H3,(H,11,12)
InChIKeyCNMXHJOAWHNANI-UHFFFAOYSA-N
MW297.97 g/mol
LogP3.12
Rot. Bonds2

About 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 19099689) has the molecular formula C8H10Br2O2 and a molecular weight of 297.97 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID19099689
Molecular FormulaC8H10Br2O2
Molecular Weight297.97 g/mol
Exact Mass295.90
IUPAC Name1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C=C(Br)Br)C(=O)O
InChIInChI=1S/C8H10Br2O2/c1-7(2)4-8(7,6(11)12)3-5(9)10/h3H,4H2,1-2H3,(H,11,12)
InChIKeyCNMXHJOAWHNANI-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.97
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 19099689) is 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)CC1(C=C(Br)Br)C(=O)O.
What is the InChIKey of 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is CNMXHJOAWHNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2O2/c1-7(2)4-8(7,6(11)12)3-5(9)10/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 297.97 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 19099689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).