(2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one

C10H16O4 — CID 132555502

IUPAC(2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@H]1CC(O)C(C)(C)O
InChIInChI=1S/C10H16O4/c1-6-4-9(12)14-7(6)5-8(11)10(2,3)13/h4,7-8,11,13H,5H2,1-3H3/t7-,8?/m0/s1
InChIKeyZVSSIQHIHYFOCC-JAMMHHFISA-N
MW200.23 g/mol
LogP0.38
Rot. Bonds3

About (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one

(2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one (PubChem CID 132555502) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one
PubChem CID132555502
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@H]1CC(O)C(C)(C)O
InChIInChI=1S/C10H16O4/c1-6-4-9(12)14-7(6)5-8(11)10(2,3)13/h4,7-8,11,13H,5H2,1-3H3/t7-,8?/m0/s1
InChIKeyZVSSIQHIHYFOCC-JAMMHHFISA-N
XLogP0.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1S,2E,6S,8S,9S,11E)-9-hydroxy-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 10711640
Aruncin A
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(6E,10S,11S,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 15275935
(6E,10S,11S,14E,15aS)-10-hydroxy-3,6,10,14-tetramethyl-11-propoxy-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 56662800
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CID 53355994
[(6E,10R,11S,14E,15aS)-10-hydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-yl] acetate
CID 71467237
methyl (2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate
CID 10859043
3-[(1S,2S)-1,2-dihydroxy-4-methylpent-3-enyl]-2H-furan-5-one
CID 163007523
(6E,10S,11S,14E,15aS)-11-butoxy-10-hydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 56669684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one?
The IUPAC name of (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one (CID 132555502) is (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one is CC1=CC(=O)O[C@H]1CC(O)C(C)(C)O.
What is the InChIKey of (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one?
The InChIKey is ZVSSIQHIHYFOCC-JAMMHHFISA-N. The full InChI is InChI=1S/C10H16O4/c1-6-4-9(12)14-7(6)5-8(11)10(2,3)13/h4,7-8,11,13H,5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one?
(2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one has a molecular weight of 200.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroxy-3-methylbutyl)-3-methyl-2H-furan-5-one is sourced from PubChem (CID 132555502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).