3-tert-butyl-4-hydroxy-2H-furan-5-one

C8H12O3 — CID 10329502

IUPAC3-tert-butyl-4-hydroxy-2H-furan-5-one
SMILESCC(C)(C)C1=C(O)C(=O)OC1
InChIInChI=1S/C8H12O3/c1-8(2,3)5-4-11-7(10)6(5)9/h9H,4H2,1-3H3
InChIKeySGHLOPKVAPROTN-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds

About 3-tert-butyl-4-hydroxy-2H-furan-5-one

3-tert-butyl-4-hydroxy-2H-furan-5-one (PubChem CID 10329502) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-tert-butyl-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-tert-butyl-4-hydroxy-2H-furan-5-one
PubChem CID10329502
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3-tert-butyl-4-hydroxy-2H-furan-5-one
SMILESCC(C)(C)C1=C(O)C(=O)OC1
InChIInChI=1S/C8H12O3/c1-8(2,3)5-4-11-7(10)6(5)9/h9H,4H2,1-3H3
InChIKeySGHLOPKVAPROTN-UHFFFAOYSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sotolone
CID 62835
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
CID 61199
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-
CID 12799212
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (+)-
CID 5325921
3-ethyl-4-hydroxyfuran-2(5H)-one
CID 67932016
2(5H)-Furanone, 3-hydroxy-4-methyl-5-propyl-
CID 120003
4-Ethyl-3-hydroxy-5-methyl-2(5H)-furanon
CID 13199939
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone, (+)-
CID 5325922
3-tert-Butyl-4-hydroxyfuran-2(5H)-one
CID 54732051
ethyl (E)-2-hydroxy-3-methylpent-2-enoate
CID 134894868
(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one
CID 134895271
(-)-5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
CID 29921502

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-hydroxy-2H-furan-5-one?
The IUPAC name of 3-tert-butyl-4-hydroxy-2H-furan-5-one (CID 10329502) is 3-tert-butyl-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-tert-butyl-4-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-tert-butyl-4-hydroxy-2H-furan-5-one is CC(C)(C)C1=C(O)C(=O)OC1.
What is the InChIKey of 3-tert-butyl-4-hydroxy-2H-furan-5-one?
The InChIKey is SGHLOPKVAPROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2,3)5-4-11-7(10)6(5)9/h9H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-4-hydroxy-2H-furan-5-one?
3-tert-butyl-4-hydroxy-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 10329502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).