3-ethyl-2,2-dimethyl-3H-furan

C8H14O — CID 175223935

IUPAC3-ethyl-2,2-dimethyl-3H-furan
SMILESCCC1C=COC1(C)C
InChIInChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h5-7H,4H2,1-3H3
InChIKeyISANLDPHADYUTE-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About 3-ethyl-2,2-dimethyl-3H-furan

3-ethyl-2,2-dimethyl-3H-furan (PubChem CID 175223935) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-3H-furan.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-3H-furan
PubChem CID175223935
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethyl-2,2-dimethyl-3H-furan
SMILESCCC1C=COC1(C)C
InChIInChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h5-7H,4H2,1-3H3
InChIKeyISANLDPHADYUTE-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyl-3H-furan?
The IUPAC name of 3-ethyl-2,2-dimethyl-3H-furan (CID 175223935) is 3-ethyl-2,2-dimethyl-3H-furan.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-3H-furan?
The canonical SMILES for 3-ethyl-2,2-dimethyl-3H-furan is CCC1C=COC1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-3H-furan?
The InChIKey is ISANLDPHADYUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,2-dimethyl-3H-furan?
3-ethyl-2,2-dimethyl-3H-furan has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethyl-3H-furan is sourced from PubChem (CID 175223935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).