cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate

C7H10O4 — CID 642979

IUPACcis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@H]1C(=O)OC
InChIInChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyJBVOSZYUSFDYIN-SYDPRGILSA-N
MW158.15 g/mol
LogP-0.03
Rot. Bonds2

About cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate

cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate (PubChem CID 642979) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
PubChem CID642979
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Namecis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@H]1C(=O)OC
InChIInChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyJBVOSZYUSFDYIN-SYDPRGILSA-N
XLogP-0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
Dimethyl trans-1,2-cyclopropanedicarboxylate
CID 6429599
Trimethyl 1,2,3-propanetricarboxylate
CID 581486
(1R,2S)-2-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 12510973
Diethyl cyclopropane-1,2-dicarboxylate
CID 89350
1-Methyl (1R,2S)-1,2-cyclopropanedicarboxylate
CID 10975600
2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 317445
(1S,2S)-2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 21729434
(1R,2R)-2-(ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 11535603
1-Ethoxycarbonylcyclopropanecarboxylic acid
CID 12510971
(1S,2S)-Diethyl cyclopropane-1,2-dicarboxylate
CID 642981
rac-(1R,2R)-2-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 12510972

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate?
The IUPAC name of cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate (CID 642979) is cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate.
What is the SMILES notation for cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate?
The canonical SMILES for cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate is COC(=O)[C@H]1C[C@H]1C(=O)OC.
What is the InChIKey of cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate?
The InChIKey is JBVOSZYUSFDYIN-SYDPRGILSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+.
What are the key properties of cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate?
cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate has a molecular weight of 158.15 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 642979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).