5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan

C13H24O — CID 89007542

IUPAC5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan
SMILESCCC1=C(C(C)(C)CC)C(C)(C)CO1
InChIInChI=1S/C13H24O/c1-7-10-11(12(3,4)8-2)13(5,6)9-14-10/h7-9H2,1-6H3
InChIKeyFIDMVTIKKNPUQZ-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds3

About 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan

5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan (PubChem CID 89007542) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan.

Molecular Properties

Compound Name5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan
PubChem CID89007542
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan
SMILESCCC1=C(C(C)(C)CC)C(C)(C)CO1
InChIInChI=1S/C13H24O/c1-7-10-11(12(3,4)8-2)13(5,6)9-14-10/h7-9H2,1-6H3
InChIKeyFIDMVTIKKNPUQZ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan?
The IUPAC name of 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan (CID 89007542) is 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan.
What is the SMILES notation for 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan?
The canonical SMILES for 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan is CCC1=C(C(C)(C)CC)C(C)(C)CO1.
What is the InChIKey of 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan?
The InChIKey is FIDMVTIKKNPUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-7-10-11(12(3,4)8-2)13(5,6)9-14-10/h7-9H2,1-6H3.
What are the key properties of 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan?
5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan has a molecular weight of 196.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-dimethyl-4-(2-methylbutan-2-yl)-2H-furan is sourced from PubChem (CID 89007542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).