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

C11H16O4 — CID 11298807

IUPACethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
SMILESCCOC(=O)C1=C2OC[C@@H](OC)[C@H]2CC1
InChIInChI=1S/C11H16O4/c1-3-14-11(12)8-5-4-7-9(13-2)6-15-10(7)8/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKeyRQXVGMGOVZVWHP-VXNVDRBHSA-N
MW212.24 g/mol
LogP1.26
Rot. Bonds3

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

ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate (PubChem CID 11298807) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate.

Molecular Properties

Compound Nameethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
PubChem CID11298807
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
SMILESCCOC(=O)C1=C2OC[C@@H](OC)[C@H]2CC1
InChIInChI=1S/C11H16O4/c1-3-14-11(12)8-5-4-7-9(13-2)6-15-10(7)8/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKeyRQXVGMGOVZVWHP-VXNVDRBHSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2,5-dimethyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 11148504
ethyl (3R,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 135057682
methyl (3R,3aS)-3-methoxy-5-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 135058395
ethyl (3R,3aS,4S)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 135059663
Furo[3,2-b]furan-3,6-dicarboxylic acid, 3a,5,6,6a-tetrahydro-5-hydroxy-2,5-dimethyl-, diethyl ester
CID 540028
ethyl (3R,3aR,13Z)-3-methoxy-2,3,3a,4,5,6,7,8,9,10,11,12-dodecahydrocyclododeca[b]furan-13-carboxylate
CID 11209107
ethyl (3R,3aR,13E)-3-methoxy-2,3,3a,4,5,6,7,8,9,10,11,12-dodecahydrocyclododeca[b]furan-13-carboxylate
CID 11266900
ethyl (3S,3aR)-3-methoxy-3,3a,4,5,6,7-hexahydro-2H-cyclohepta[b]furan-8-carboxylate
CID 11379465
ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
CID 11528459
Methyl 2-ethyl-5-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 11644262
Dipropan-2-yl 5,6-dimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 70926060
4,10-Dioxatricyclo[5.2.1.02,6]dec-1-en-3-one
CID 89964036

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
The IUPAC name of ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate (CID 11298807) is ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate.
What is the SMILES notation for ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
The canonical SMILES for ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate is CCOC(=O)C1=C2OC[C@@H](OC)[C@H]2CC1.
What is the InChIKey of ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
The InChIKey is RQXVGMGOVZVWHP-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-11(12)8-5-4-7-9(13-2)6-15-10(7)8/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate is sourced from PubChem (CID 11298807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).