cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate

C15H16O6 — CID 101430337

IUPACcis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@H](C=O)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H16O6/c1-19-10-6-4-9(5-7-10)12-11(8-16)15(12,13(17)20-2)14(18)21-3/h4-8,11-12H,1-3H3/t11-,12-/m1/s1
InChIKeyWSJAQGMAJWUOHQ-VXGBXAGGSA-N
MW292.29 g/mol
LogP0.94
Rot. Bonds5

About cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate

cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate (PubChem CID 101430337) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate
PubChem CID101430337
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Namecis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@H](C=O)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H16O6/c1-19-10-6-4-9(5-7-10)12-11(8-16)15(12,13(17)20-2)14(18)21-3/h4-8,11-12H,1-3H3/t11-,12-/m1/s1
InChIKeyWSJAQGMAJWUOHQ-VXGBXAGGSA-N
XLogP0.94
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

cis-diethyl (2S,3R)-2-(4-chlorophenyl)-3-formylcyclopropane-1,1-dicarboxylate
CID 102086771
cis-dimethyl (2S,4S)-2-cyano-4-(4-methoxyphenyl)cyclobutane-1,1-dicarboxylate
CID 10357603
methyl (1R,2R,3R)-1-acetamido-2-(4-methoxyphenyl)-3-methylcyclobutane-1-carboxylate
CID 166446835
methyl 2-(4-methoxyphenyl)-1-[(E)-2-methylbut-2-enoyl]cyclopropane-1-carboxylate
CID 102264444
methyl (1S,2S,3S)-1-dimethoxyphosphoryl-2-formyl-3-phenylcyclopropane-1-carboxylate
CID 102140449
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene
CID 22347579
trimethyl (1R,3S)-3-(4-methoxyphenyl)-3,4-dihydro-1H-anthracene-1,2,2-tricarboxylate
CID 139187578
(1R,2S,3S)-1-(hydroxymethyl)-2-(4-methoxyphenyl)-3-methylsulfonylcyclopropane-1-carboxylic acid
CID 124858964
dimethyl 3-(4-methoxyphenyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 101474665
ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
CID 20792268
N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
CID 25255130

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate (CID 101430337) is cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)[C@H](C=O)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is WSJAQGMAJWUOHQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H16O6/c1-19-10-6-4-9(5-7-10)12-11(8-16)15(12,13(17)20-2)14(18)21-3/h4-8,11-12H,1-3H3/t11-,12-/m1/s1.
What are the key properties of cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 292.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 101430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).