1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone

C16H18O4 — CID 101338916

IUPAC1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1[C@H](c2ccco2)[C@@H](c2ccco2)C[C@@]1(C)O
InChIInChI=1S/C16H18O4/c1-10(17)15-14(13-6-4-8-20-13)11(9-16(15,2)18)12-5-3-7-19-12/h3-8,11,14-15,18H,9H2,1-2H3/t11-,14+,15+,16-/m1/s1
InChIKeyZSICDOILNFEBLP-IPOQPSJVSA-N
MW274.32 g/mol
LogP3.10
Rot. Bonds3

About 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone

1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone (PubChem CID 101338916) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone
PubChem CID101338916
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1[C@H](c2ccco2)[C@@H](c2ccco2)C[C@@]1(C)O
InChIInChI=1S/C16H18O4/c1-10(17)15-14(13-6-4-8-20-13)11(9-16(15,2)18)12-5-3-7-19-12/h3-8,11,14-15,18H,9H2,1-2H3/t11-,14+,15+,16-/m1/s1
InChIKeyZSICDOILNFEBLP-IPOQPSJVSA-N
XLogP3.10
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone (CID 101338916) is 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone is CC(=O)[C@H]1[C@H](c2ccco2)[C@@H](c2ccco2)C[C@@]1(C)O.
What is the InChIKey of 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone?
The InChIKey is ZSICDOILNFEBLP-IPOQPSJVSA-N. The full InChI is InChI=1S/C16H18O4/c1-10(17)15-14(13-6-4-8-20-13)11(9-16(15,2)18)12-5-3-7-19-12/h3-8,11,14-15,18H,9H2,1-2H3/t11-,14+,15+,16-/m1/s1.
What are the key properties of 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone?
1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone is sourced from PubChem (CID 101338916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).