4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan

C12H22O — CID 89141239

IUPAC4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan
SMILESCCC1=C(C(C)(C)C)C(C)(C)CO1
InChIInChI=1S/C12H22O/c1-7-9-10(11(2,3)4)12(5,6)8-13-9/h7-8H2,1-6H3
InChIKeyXOMBMUOBMXCWQW-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds1

About 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan

4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan (PubChem CID 89141239) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan
PubChem CID89141239
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan
SMILESCCC1=C(C(C)(C)C)C(C)(C)CO1
InChIInChI=1S/C12H22O/c1-7-9-10(11(2,3)4)12(5,6)8-13-9/h7-8H2,1-6H3
InChIKeyXOMBMUOBMXCWQW-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan?
The IUPAC name of 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan (CID 89141239) is 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan.
What is the SMILES notation for 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan?
The canonical SMILES for 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan is CCC1=C(C(C)(C)C)C(C)(C)CO1.
What is the InChIKey of 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan?
The InChIKey is XOMBMUOBMXCWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-7-9-10(11(2,3)4)12(5,6)8-13-9/h7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan?
4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan is sourced from PubChem (CID 89141239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).