trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate

C7H8O4-2 — CID 6976393

IUPACtrans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate
SMILESC[C@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]
InChIInChI=1S/C7H10O4/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t6-,7-/m1/s1
InChIKeySLBKGBQKBVOZRI-RNFRBKRXSA-L
MW156.14 g/mol
LogP-2.10
Rot. Bonds2

About trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate

trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate (PubChem CID 6976393) has the molecular formula C7H8O4-2 and a molecular weight of 156.14 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate
PubChem CID6976393
Molecular FormulaC7H8O4-2
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Nametrans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate
SMILESC[C@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]
InChIInChI=1S/C7H10O4/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t6-,7-/m1/s1
InChIKeySLBKGBQKBVOZRI-RNFRBKRXSA-L
XLogP-2.10
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
CID 21039581
cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
CID 131845502
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
barium(2+);1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 158507106
calcium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 140570335
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540
sodium 3-carboxy-1,2,2-trimethylcyclopentane-1-carboxylate
CID 23674493
cis-(1S,3S)-3-(bromomethyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7053976
(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
CID 7075753
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
1-ethoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylate
CID 71406242
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate?
The IUPAC name of trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate (CID 6976393) is trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate.
What is the SMILES notation for trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate?
The canonical SMILES for trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate is C[C@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-].
What is the InChIKey of trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate?
The InChIKey is SLBKGBQKBVOZRI-RNFRBKRXSA-L. The full InChI is InChI=1S/C7H10O4/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t6-,7-/m1/s1.
What are the key properties of trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate?
trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate has a molecular weight of 156.14 g/mol, XLogP of -2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 6976393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).