2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one

C10H16O4 — CID 101241961

IUPAC2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
SMILESCC1=C([C@H](O)C(C)(C)C)C(=O)OC1O
InChIInChI=1S/C10H16O4/c1-5-6(7(11)10(2,3)4)9(13)14-8(5)12/h7-8,11-12H,1-4H3/t7-,8?/m0/s1
InChIKeyAQURXMTZJZMMKD-JAMMHHFISA-N
MW200.23 g/mol
LogP0.59
Rot. Bonds1

About 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one

2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one (PubChem CID 101241961) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
PubChem CID101241961
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
SMILESCC1=C([C@H](O)C(C)(C)C)C(=O)OC1O
InChIInChI=1S/C10H16O4/c1-5-6(7(11)10(2,3)4)9(13)14-8(5)12/h7-8,11-12H,1-4H3/t7-,8?/m0/s1
InChIKeyAQURXMTZJZMMKD-JAMMHHFISA-N
XLogP0.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone
CID 10013024
5-Hydroxy-3-(1-hydroxy-2-methylpropyl)-4-methyl-2(5H)-furanone
CID 10261838
3-(1-Hydroxy-2-methylproyl)-4-methyl-2(5H)-furanone
CID 10035024
2-(1'-Hydroxybutyl)-3-methyl-4-hydroxybut-2-en-1,4-olide
CID 163112472
5-Hydroxy-3[(1r)-1-hydroxypropyl]-4-methylfuran-2(5h)-one
CID 101241960
4-(1-hydroxy-2-methylpropyl)-3-methyl-2H-uran-5-one
CID 11457920
3-[(1R)-1-Hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5H)-one
CID 101241959
3-[(1s)-1-Hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 129848530
5-Hydroxy-3-[(1s)-1-hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 129848532
5-Hydroxy-3-[(1s,2s)-1-hydroxy-2-methylbutyl]-4-methylfuran-2(5h)-one
CID 101241954
5-Hydroxy-3-[(1r,2s)-1-hydroxy-2-methylbutyl]-4-methylfuran-2(5h)-one
CID 129848529
5-Hydroxy-3-[(1s)-1-hydroxypropyl]-4-methylfuran-2(5h)-one
CID 129848535

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one (CID 101241961) is 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one is CC1=C([C@H](O)C(C)(C)C)C(=O)OC1O.
What is the InChIKey of 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The InChIKey is AQURXMTZJZMMKD-JAMMHHFISA-N. The full InChI is InChI=1S/C10H16O4/c1-5-6(7(11)10(2,3)4)9(13)14-8(5)12/h7-8,11-12H,1-4H3/t7-,8?/m0/s1.
What are the key properties of 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one has a molecular weight of 200.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 101241961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).