cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate

C12H20O4 — CID 10966254

IUPACcis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
SMILESCCCC[C@@]1(C(=O)OCC)C[C@H]1C(=O)OC
InChIInChI=1S/C12H20O4/c1-4-6-7-12(11(14)16-5-2)8-9(12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12+/m0/s1
InChIKeyUQEZHLGRDBSKMM-JOYOIKCWSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds6

About cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate

cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate (PubChem CID 10966254) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
PubChem CID10966254
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namecis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
SMILESCCCC[C@@]1(C(=O)OCC)C[C@H]1C(=O)OC
InChIInChI=1S/C12H20O4/c1-4-6-7-12(11(14)16-5-2)8-9(12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12+/m0/s1
InChIKeyUQEZHLGRDBSKMM-JOYOIKCWSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

methyl 2-butyl-2-formylcyclopropane-1-carboxylate
CID 134922593
trans-dimethyl (1S,2S)-1-(bromomethyl)cyclopropane-1,2-dicarboxylate
CID 131844843
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
cis-1-O-ethyl 2-O-methyl (1S,2R)-1-[(1E,3E)-penta-1,3-dienyl]cyclopropane-1,2-dicarboxylate
CID 11014326
methyl (3R,4S,6S)-6-butyl-3-methoxy-3,6-dimethyldioxane-4-carboxylate
CID 56925658
diethyl 1-propylcyclohexane-1,2-dicarboxylate
CID 146562592
cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
methyl 2-butyloxirane-2-carboxylate
CID 18471262
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186

Frequently Asked Questions

What is the IUPAC name of cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate?
The IUPAC name of cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate (CID 10966254) is cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate.
What is the SMILES notation for cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate?
The canonical SMILES for cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate is CCCC[C@@]1(C(=O)OCC)C[C@H]1C(=O)OC.
What is the InChIKey of cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate?
The InChIKey is UQEZHLGRDBSKMM-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H20O4/c1-4-6-7-12(11(14)16-5-2)8-9(12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12+/m0/s1.
What are the key properties of cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate?
cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 10966254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).