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

C10H16O3 — CID 130891296

IUPAC(2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@H]1[C@@H](O)C(C)(C)C
InChIInChI=1S/C10H16O3/c1-6-5-7(11)13-8(6)9(12)10(2,3)4/h5,8-9,12H,1-4H3/t8-,9-/m1/s1
InChIKeyQRCNDEVNSFYNQA-RKDXNWHRSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds1

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

(2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one (PubChem CID 130891296) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
PubChem CID130891296
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@H]1[C@@H](O)C(C)(C)C
InChIInChI=1S/C10H16O3/c1-6-5-7(11)13-8(6)9(12)10(2,3)4/h5,8-9,12H,1-4H3/t8-,9-/m1/s1
InChIKeyQRCNDEVNSFYNQA-RKDXNWHRSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one (CID 130891296) is (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one is CC1=CC(=O)O[C@H]1[C@@H](O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
The InChIKey is QRCNDEVNSFYNQA-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-7(11)13-8(6)9(12)10(2,3)4/h5,8-9,12H,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one?
(2R)-2-[(1S)-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 (2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 130891296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).