5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan

C12H20O2 — CID 134965937

IUPAC5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan
SMILESCC[C@H]1CC[C@H](C2=CC(C)(C)CO2)O1
InChIInChI=1S/C12H20O2/c1-4-9-5-6-10(14-9)11-7-12(2,3)8-13-11/h7,9-10H,4-6,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyYWACSIBKICBKPI-VHSXEESVSA-N
MW196.29 g/mol
LogP2.88
Rot. Bonds2

About 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan

5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan (PubChem CID 134965937) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan.

Molecular Properties

Compound Name5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan
PubChem CID134965937
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan
SMILESCC[C@H]1CC[C@H](C2=CC(C)(C)CO2)O1
InChIInChI=1S/C12H20O2/c1-4-9-5-6-10(14-9)11-7-12(2,3)8-13-11/h7,9-10H,4-6,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyYWACSIBKICBKPI-VHSXEESVSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan?
The IUPAC name of 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan (CID 134965937) is 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan.
What is the SMILES notation for 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan?
The canonical SMILES for 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan is CC[C@H]1CC[C@H](C2=CC(C)(C)CO2)O1.
What is the InChIKey of 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan?
The InChIKey is YWACSIBKICBKPI-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-9-5-6-10(14-9)11-7-12(2,3)8-13-11/h7,9-10H,4-6,8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan?
5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan has a molecular weight of 196.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan is sourced from PubChem (CID 134965937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).