dimethyl cyclopropane-1,2-dicarboxylate

C7H10O4 — CID 2724542

IUPACdimethyl cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)C1CC1C(=O)OC
InChIInChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3
InChIKeyJBVOSZYUSFDYIN-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.03
Rot. Bonds2

About dimethyl cyclopropane-1,2-dicarboxylate

dimethyl cyclopropane-1,2-dicarboxylate (PubChem CID 2724542) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is dimethyl cyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl cyclopropane-1,2-dicarboxylate
PubChem CID2724542
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Namedimethyl cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)C1CC1C(=O)OC
InChIInChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3
InChIKeyJBVOSZYUSFDYIN-UHFFFAOYSA-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

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
methyl 2,3-difluorocyclobutane-1-carboxylate
CID 175603308
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303

Frequently Asked Questions

What is the IUPAC name of dimethyl cyclopropane-1,2-dicarboxylate?
The IUPAC name of dimethyl cyclopropane-1,2-dicarboxylate (CID 2724542) is dimethyl cyclopropane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl cyclopropane-1,2-dicarboxylate?
The canonical SMILES for dimethyl cyclopropane-1,2-dicarboxylate is COC(=O)C1CC1C(=O)OC.
What is the InChIKey of dimethyl cyclopropane-1,2-dicarboxylate?
The InChIKey is JBVOSZYUSFDYIN-UHFFFAOYSA-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.
What are the key properties of dimethyl cyclopropane-1,2-dicarboxylate?
dimethyl 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 dimethyl cyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 2724542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).