methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

C11H18O4 — CID 69012596

IUPACmethyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESCCOC12CCCC1(C(=O)OC)CCO2
InChIInChI=1S/C11H18O4/c1-3-14-11-6-4-5-10(11,7-8-15-11)9(12)13-2/h3-8H2,1-2H3
InChIKeyDPDCNEZVHOLUMR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds3

About methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (PubChem CID 69012596) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
PubChem CID69012596
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESCCOC12CCCC1(C(=O)OC)CCO2
InChIInChI=1S/C11H18O4/c1-3-14-11-6-4-5-10(11,7-8-15-11)9(12)13-2/h3-8H2,1-2H3
InChIKeyDPDCNEZVHOLUMR-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The IUPAC name of methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (CID 69012596) is methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is CCOC12CCCC1(C(=O)OC)CCO2.
What is the InChIKey of methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The InChIKey is DPDCNEZVHOLUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-11-6-4-5-10(11,7-8-15-11)9(12)13-2/h3-8H2,1-2H3.
What are the key properties of methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 69012596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).