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

C10H16O3 — CID 101241959

IUPAC4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
SMILESCC1=C([C@H](O)C(C)(C)C)C(=O)OC1
InChIInChI=1S/C10H16O3/c1-6-5-13-9(12)7(6)8(11)10(2,3)4/h8,11H,5H2,1-4H3/t8-/m0/s1
InChIKeyCEZJROXORLPWNZ-QMMMGPOBSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds1

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

4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one (PubChem CID 101241959) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
PubChem CID101241959
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
SMILESCC1=C([C@H](O)C(C)(C)C)C(=O)OC1
InChIInChI=1S/C10H16O3/c1-6-5-13-9(12)7(6)8(11)10(2,3)4/h8,11H,5H2,1-4H3/t8-/m0/s1
InChIKeyCEZJROXORLPWNZ-QMMMGPOBSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-methylpropyl)-4-methyl-2(5H)-furanone
CID 10261838
3-(1-Hydroxy-2-methylproyl)-4-methyl-2(5H)-furanone
CID 10035024
3-(1-Hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone)
CID 10081079
(4E,6S,7E,10S)-6-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-trien-12-one
CID 38350981
4-Carboxymethyl-2,3-dimethylbut-2-en-1,4
CID 85713729
8-hydroxypregaliellalactone B
CID 146683487
4-(1-hydroxy-2-methylpropyl)-3-methyl-2H-uran-5-one
CID 11457920
4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
CID 154700504
3-[(1R)-1-Hydroxypropyl]-4-methylfuran-2(5H)-one
CID 45083191
3-[(1s)-1-Hydroxypropyl]-4-methylfuran-2(5h)-one
CID 45083192
5-Hydroxy-3-[(1r)-1-hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 101241961
3-[(1s)-1-Hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 129848530

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one (CID 101241959) is 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 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)OC1.
What is the InChIKey of 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The InChIKey is CEZJROXORLPWNZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-13-9(12)7(6)8(11)10(2,3)4/h8,11H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 101241959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).