trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate

C19H22O5 — CID 137384255

IUPACtrans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate
SMILESC=C(OCC)C1[C@@H](c2ccco2)C(C(=O)OCC)[C@@H]1c1ccco1
InChIInChI=1S/C19H22O5/c1-4-21-12(3)15-16(13-8-6-10-23-13)18(19(20)22-5-2)17(15)14-9-7-11-24-14/h6-11,15-18H,3-5H2,1-2H3/t15?,16-,17-,18?/m1/s1
InChIKeyPPKARRWZFUMGSE-QLOLRVAOSA-N
MW330.38 g/mol
LogP4.10
Rot. Bonds7

About trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate

trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate (PubChem CID 137384255) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate
PubChem CID137384255
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nametrans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate
SMILESC=C(OCC)C1[C@@H](c2ccco2)C(C(=O)OCC)[C@@H]1c1ccco1
InChIInChI=1S/C19H22O5/c1-4-21-12(3)15-16(13-8-6-10-23-13)18(19(20)22-5-2)17(15)14-9-7-11-24-14/h6-11,15-18H,3-5H2,1-2H3/t15?,16-,17-,18?/m1/s1
InChIKeyPPKARRWZFUMGSE-QLOLRVAOSA-N
XLogP4.10
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate?
The IUPAC name of trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate (CID 137384255) is trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate?
The canonical SMILES for trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate is C=C(OCC)C1[C@@H](c2ccco2)C(C(=O)OCC)[C@@H]1c1ccco1.
What is the InChIKey of trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate?
The InChIKey is PPKARRWZFUMGSE-QLOLRVAOSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-21-12(3)15-16(13-8-6-10-23-13)18(19(20)22-5-2)17(15)14-9-7-11-24-14/h6-11,15-18H,3-5H2,1-2H3/t15?,16-,17-,18?/m1/s1.
What are the key properties of trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate?
trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 137384255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).