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

C10H14O3 — CID 11528459

IUPACethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
SMILESCCOC(=O)C1=C2OCCC2CC1
InChIInChI=1S/C10H14O3/c1-2-12-10(11)8-4-3-7-5-6-13-9(7)8/h7H,2-6H2,1H3
InChIKeyYMWRKZNZCHMJME-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.63
Rot. Bonds2

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

ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate (PubChem CID 11528459) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
PubChem CID11528459
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
SMILESCCOC(=O)C1=C2OCCC2CC1
InChIInChI=1S/C10H14O3/c1-2-12-10(11)8-4-3-7-5-6-13-9(7)8/h7H,2-6H2,1H3
InChIKeyYMWRKZNZCHMJME-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Methyl 2,5-dimethyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 11148504
Ethyl 2-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 12190395
4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 10419365
(6R)-6-methyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
CID 134951099
ethyl (3S,3aR)-3-methoxy-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate
CID 11298807
ethyl (2E)-2-(oxolan-2-ylidene)octanoate
CID 11413783
Methyl 5-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 11499378
Methyl 2-ethyl-5-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 11644262
ethyl (13Z)-2,3,3a,4,5,6,7,8,9,10,11,12-dodecahydrocyclododeca[b]furan-13-carboxylate
CID 11708941
Ethyl 2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
CID 11715344
Methyl 2,5-dimethylcyclopentene-1-carboxylate
CID 19823581
4-Carbethoxy-2,5-dimethyl-2-propyl-2,3-dihydrofuran
CID 20191510

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
The IUPAC name of ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate (CID 11528459) is ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate.
What is the SMILES notation for ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
The canonical SMILES for ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate is CCOC(=O)C1=C2OCCC2CC1.
What is the InChIKey of ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
The InChIKey is YMWRKZNZCHMJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-12-10(11)8-4-3-7-5-6-13-9(7)8/h7H,2-6H2,1H3.
What are the key properties of ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate?
ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-carboxylate is sourced from PubChem (CID 11528459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).