trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C8H10Br2O2 — CID 12525241

IUPACtrans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O
InChIInChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyMDIQXIJPQWLFSD-INEUFUBQSA-N
MW297.97 g/mol
LogP2.97
Rot. Bonds2

About trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 12525241) has the molecular formula C8H10Br2O2 and a molecular weight of 297.97 g/mol. Its IUPAC name is trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID12525241
Molecular FormulaC8H10Br2O2
Molecular Weight297.97 g/mol
Exact Mass295.90
IUPAC Nametrans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O
InChIInChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyMDIQXIJPQWLFSD-INEUFUBQSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Decamethrinic acid
CID 12525236
Deltamethrinic acid
CID 10924480
3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 181248
methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 188825
2,2-Dimethyl-3-vinyl cyclopropane carboxylic
CID 565378
Cyclopropanecarboxylicacid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, methyl ester, (1R,3R)-rel-
CID 615850
2-Vinyl-2-methylcyclopropane-1-carboxylic acid
CID 12261404
cis-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 19099689
Dibromovinyl-dimethyl-cyclopropane carboxylic acid
CID 129722695
trans-(1R,3R)-3-(3-bromo-2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54465682
cis-(1R,3S)-3-(3-bromo-2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54465683
3-(3-Bromo-2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70030720

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 12525241) is trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is MDIQXIJPQWLFSD-INEUFUBQSA-N. The full InChI is InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m1/s1.
What are the key properties of trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 297.97 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12525241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).