(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one

C9H14O3 — CID 13391762

IUPAC(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
SMILESCC(C)(C)OC[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H14O3/c1-9(2,3)11-6-7-4-5-8(10)12-7/h4-5,7H,6H2,1-3H3/t7-/m1/s1
InChIKeyVTKUOWJHBJIGRX-SSDOTTSWSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one

(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one (PubChem CID 13391762) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
PubChem CID13391762
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
SMILESCC(C)(C)OC[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H14O3/c1-9(2,3)11-6-7-4-5-8(10)12-7/h4-5,7H,6H2,1-3H3/t7-/m1/s1
InChIKeyVTKUOWJHBJIGRX-SSDOTTSWSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate
CID 62705949
2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
2-(2-hydroxyethyl)-2H-furan-5-one
CID 11535562
(2S)-2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
CID 10799274
3-(5-oxo-2H-furan-2-yl)propanal
CID 86229891
2-(3-methyl-2-methylidenebutyl)-2H-furan-5-one
CID 544001
2-benzyl-2H-furan-5-one
CID 13297886
(2S)-5-oxo-2H-furan-2-carbaldehyde
CID 163953741
tert-butyl (5-oxo-2H-furan-2-yl) carbonate
CID 11074395
2-(tert-butylamino)-2H-furan-5-one
CID 18520736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one (CID 13391762) is (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one is CC(C)(C)OC[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one?
The InChIKey is VTKUOWJHBJIGRX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(2,3)11-6-7-4-5-8(10)12-7/h4-5,7H,6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one?
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one is sourced from PubChem (CID 13391762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).