1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate

C9H12O4 — CID 135075371

IUPAC1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C[C@H](C(=O)OC)C1
InChIInChI=1S/C9H12O4/c1-3-13-9(11)7-4-6(5-7)8(10)12-2/h4,6H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyHGXLEWBCGXJFBX-LURJTMIESA-N
MW184.19 g/mol
LogP0.67
Rot. Bonds3

About 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate

1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate (PubChem CID 135075371) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate
PubChem CID135075371
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C[C@H](C(=O)OC)C1
InChIInChI=1S/C9H12O4/c1-3-13-9(11)7-4-6(5-7)8(10)12-2/h4,6H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyHGXLEWBCGXJFBX-LURJTMIESA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Vibralactone L
CID 131849277
methyl (3R,4R,5Z)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-oxooxane-3-carboxylate
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methyl 2-[(4R)-3-ethylidene-2-oxooxan-4-yl]acetate
CID 162989246
Diethyl cyclopent-3-ene-1,3-dicarboxylate
CID 14936175
diethyl (4E)-2-methylidene-4-(2,2,2-trifluoroethylidene)pentanedioate
CID 101501476
3(Methoxycarbonylmethylene)glutaric acid dimethylester
CID 12053850
3-O-(fluoromethyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexa-3,5-diene-1,3-dicarboxylate
CID 18341888
3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate
CID 10081438
Dimethyl cyclopent-3-ene-1,3-dicarboxylate
CID 10375117
3-O-ethyl 1-O-(2-methylpropyl) (1R)-cyclopent-3-ene-1,3-dicarboxylate
CID 11075565
methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate
CID 11117011
(e)-Dimethyl 2-ethylidene-3-methylpentanedioate
CID 12716291

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate?
The IUPAC name of 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate (CID 135075371) is 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate?
The canonical SMILES for 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate is CCOC(=O)C1=C[C@H](C(=O)OC)C1.
What is the InChIKey of 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate?
The InChIKey is HGXLEWBCGXJFBX-LURJTMIESA-N. The full InChI is InChI=1S/C9H12O4/c1-3-13-9(11)7-4-6(5-7)8(10)12-2/h4,6H,3,5H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate?
1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 3-O-methyl (3R)-cyclobutene-1,3-dicarboxylate is sourced from PubChem (CID 135075371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).