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

C13H22O2 — CID 134965931

IUPAC5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan
SMILESCC[C@H]1CC[C@](C)(C2=CC(C)(C)CO2)O1
InChIInChI=1S/C13H22O2/c1-5-10-6-7-13(4,15-10)11-8-12(2,3)9-14-11/h8,10H,5-7,9H2,1-4H3/t10-,13+/m0/s1
InChIKeyPOCDEJHOKLTUTD-GXFFZTMASA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds2

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

5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan (PubChem CID 134965931) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan.

Molecular Properties

Compound Name5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan
PubChem CID134965931
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan
SMILESCC[C@H]1CC[C@](C)(C2=CC(C)(C)CO2)O1
InChIInChI=1S/C13H22O2/c1-5-10-6-7-13(4,15-10)11-8-12(2,3)9-14-11/h8,10H,5-7,9H2,1-4H3/t10-,13+/m0/s1
InChIKeyPOCDEJHOKLTUTD-GXFFZTMASA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxy-1-oxaspiro[4.5]dec-6-ene
CID 15946867
5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan
CID 134965937
Laciniata ether A
CID 91747326
1-Ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 70361937
2-ethyl-1-[(Z)-1-methoxybut-1-enyl]-3,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 145801954
3,5-Diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene
CID 172820939

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan?
The IUPAC name of 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan (CID 134965931) is 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan.
What is the SMILES notation for 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan?
The canonical SMILES for 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan is CC[C@H]1CC[C@](C)(C2=CC(C)(C)CO2)O1.
What is the InChIKey of 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan?
The InChIKey is POCDEJHOKLTUTD-GXFFZTMASA-N. The full InChI is InChI=1S/C13H22O2/c1-5-10-6-7-13(4,15-10)11-8-12(2,3)9-14-11/h8,10H,5-7,9H2,1-4H3/t10-,13+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan?
5-[(2R,5S)-5-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan has a molecular weight of 210.32 g/mol, XLogP of 3.27, 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-ethyl-2-methyloxolan-2-yl]-3,3-dimethyl-2H-furan is sourced from PubChem (CID 134965931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).