methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate

C10H16O4 — CID 10536022

IUPACmethyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate
SMILESCCO[C@@H]1OC(C)=C(C(=O)OC)[C@@H]1C
InChIInChI=1S/C10H16O4/c1-5-13-10-6(2)8(7(3)14-10)9(11)12-4/h6,10H,5H2,1-4H3/t6-,10+/m0/s1
InChIKeyFIIQYDIKVKPOSS-QUBYGPBYSA-N
MW200.23 g/mol
LogP1.46
Rot. Bonds3

About methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate

methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10536022) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate
PubChem CID10536022
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate
SMILESCCO[C@@H]1OC(C)=C(C(=O)OC)[C@@H]1C
InChIInChI=1S/C10H16O4/c1-5-13-10-6(2)8(7(3)14-10)9(11)12-4/h6,10H,5H2,1-4H3/t6-,10+/m0/s1
InChIKeyFIIQYDIKVKPOSS-QUBYGPBYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate (CID 10536022) is methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate is CCO[C@@H]1OC(C)=C(C(=O)OC)[C@@H]1C.
What is the InChIKey of methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is FIIQYDIKVKPOSS-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-10-6(2)8(7(3)14-10)9(11)12-4/h6,10H,5H2,1-4H3/t6-,10+/m0/s1.
What are the key properties of methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-ethoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10536022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).