2-ethyl-2,3,5-trimethyl-3H-furan

C9H16O — CID 89030719

IUPAC2-ethyl-2,3,5-trimethyl-3H-furan
SMILESCCC1(C)OC(C)=CC1C
InChIInChI=1S/C9H16O/c1-5-9(4)7(2)6-8(3)10-9/h6-7H,5H2,1-4H3
InChIKeyMJPSTBXTSPZJFU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds1

About 2-ethyl-2,3,5-trimethyl-3H-furan

2-ethyl-2,3,5-trimethyl-3H-furan (PubChem CID 89030719) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethyl-2,3,5-trimethyl-3H-furan.

Molecular Properties

Compound Name2-ethyl-2,3,5-trimethyl-3H-furan
PubChem CID89030719
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethyl-2,3,5-trimethyl-3H-furan
SMILESCCC1(C)OC(C)=CC1C
InChIInChI=1S/C9H16O/c1-5-9(4)7(2)6-8(3)10-9/h6-7H,5H2,1-4H3
InChIKeyMJPSTBXTSPZJFU-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,5-trimethyl-3H-furan?
The IUPAC name of 2-ethyl-2,3,5-trimethyl-3H-furan (CID 89030719) is 2-ethyl-2,3,5-trimethyl-3H-furan.
What is the SMILES notation for 2-ethyl-2,3,5-trimethyl-3H-furan?
The canonical SMILES for 2-ethyl-2,3,5-trimethyl-3H-furan is CCC1(C)OC(C)=CC1C.
What is the InChIKey of 2-ethyl-2,3,5-trimethyl-3H-furan?
The InChIKey is MJPSTBXTSPZJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-9(4)7(2)6-8(3)10-9/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethyl-2,3,5-trimethyl-3H-furan?
2-ethyl-2,3,5-trimethyl-3H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,5-trimethyl-3H-furan is sourced from PubChem (CID 89030719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).