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

C10H16O3 — CID 15837461

IUPAC4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one
SMILESCC[C@H](C)[C@@H](O)C1=C(C)COC1=O
InChIInChI=1S/C10H16O3/c1-4-6(2)9(11)8-7(3)5-13-10(8)12/h6,9,11H,4-5H2,1-3H3/t6-,9+/m0/s1
InChIKeyZXYIUEGERMMVDN-IMTBSYHQSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds3

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

4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one (PubChem CID 15837461) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one
PubChem CID15837461
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one
SMILESCC[C@H](C)[C@@H](O)C1=C(C)COC1=O
InChIInChI=1S/C10H16O3/c1-4-6(2)9(11)8-7(3)5-13-10(8)12/h6,9,11H,4-5H2,1-3H3/t6-,9+/m0/s1
InChIKeyZXYIUEGERMMVDN-IMTBSYHQSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid
CID 118012593
(6E,10S,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
CID 23757251
3-(1-Hydroxy-2-methylproyl)-4-methyl-2(5H)-furanone
CID 10035024
3-(1-Hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone)
CID 10081079
Striatisporolide A
CID 45359437
(2R)-4-methyl-2-octyl-5-oxo-2H-furan-3-carboxylic acid
CID 71450778
(2S)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid
CID 134142521
(2S)-2-heptyl-4-methyl-5-oxo-2H-furan-3-carboxylic acid
CID 134157734
(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
CID 14543463
(2S)-4-methyl-5-oxo-2-pentyl-2H-furan-3-carboxylic acid
CID 26210708

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one (CID 15837461) is 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one is CC[C@H](C)[C@@H](O)C1=C(C)COC1=O.
What is the InChIKey of 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
The InChIKey is ZXYIUEGERMMVDN-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6(2)9(11)8-7(3)5-13-10(8)12/h6,9,11H,4-5H2,1-3H3/t6-,9+/m0/s1.
What are the key properties of 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 15837461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).