2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate

C10H12O7 — CID 74071969

IUPAC2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate
SMILESCCOC(=O)C1C(C=O)C1OC(=O)C(=O)OC
InChIInChI=1S/C10H12O7/c1-3-16-8(12)6-5(4-11)7(6)17-10(14)9(13)15-2/h4-7H,3H2,1-2H3
InChIKeyFMRNUFSFKBDNPL-UHFFFAOYSA-N
MW244.20 g/mol
LogP-0.92
Rot. Bonds4

About 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate

2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate (PubChem CID 74071969) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate
PubChem CID74071969
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate
SMILESCCOC(=O)C1C(C=O)C1OC(=O)C(=O)OC
InChIInChI=1S/C10H12O7/c1-3-16-8(12)6-5(4-11)7(6)17-10(14)9(13)15-2/h4-7H,3H2,1-2H3
InChIKeyFMRNUFSFKBDNPL-UHFFFAOYSA-N
XLogP-0.92
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl 3-formyl-5-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23463508
trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
CID 102308215
ethyl (1R,2R,5R,6R)-2-formylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469534
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
2-O-[(1S,2R,3S)-2-[(1R)-1-hydroxybut-3-enyl]-3-methoxycarbonylcyclopropyl] 1-O-methyl oxalate
CID 15459187
ethyl (2S,3R)-3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 131632299
ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 122519866
ethyl (3S)-3-hydroxybicyclo[2.2.2]octane-2-carboxylate
CID 146555568
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate?
The IUPAC name of 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate (CID 74071969) is 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate.
What is the SMILES notation for 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate?
The canonical SMILES for 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate is CCOC(=O)C1C(C=O)C1OC(=O)C(=O)OC.
What is the InChIKey of 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate?
The InChIKey is FMRNUFSFKBDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O7/c1-3-16-8(12)6-5(4-11)7(6)17-10(14)9(13)15-2/h4-7H,3H2,1-2H3.
What are the key properties of 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate?
2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate has a molecular weight of 244.20 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-ethoxycarbonyl-3-formylcyclopropyl) 1-O-methyl oxalate is sourced from PubChem (CID 74071969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).