methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

C10H16O4 — CID 59847182

IUPACmethyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESCOC(=O)[C@@]12CCC[C@]1(OC)OCC2
InChIInChI=1S/C10H16O4/c1-12-8(11)9-4-3-5-10(9,13-2)14-7-6-9/h3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyVLBYODDMYPYPJM-UWVGGRQHSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds2

About methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (PubChem CID 59847182) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
PubChem CID59847182
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESCOC(=O)[C@@]12CCC[C@]1(OC)OCC2
InChIInChI=1S/C10H16O4/c1-12-8(11)9-4-3-5-10(9,13-2)14-7-6-9/h3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyVLBYODDMYPYPJM-UWVGGRQHSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The IUPAC name of methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (CID 59847182) is methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is COC(=O)[C@@]12CCC[C@]1(OC)OCC2.
What is the InChIKey of methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The InChIKey is VLBYODDMYPYPJM-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O4/c1-12-8(11)9-4-3-5-10(9,13-2)14-7-6-9/h3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 59847182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).