[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate

C10H14O4 — CID 102186231

IUPAC[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate
SMILESCC(=O)OC1=CC(=O)O[C@@H]1CC(C)C
InChIInChI=1S/C10H14O4/c1-6(2)4-8-9(13-7(3)11)5-10(12)14-8/h5-6,8H,4H2,1-3H3/t8-/m1/s1
InChIKeyBGZIWUQNMMBDIJ-MRVPVSSYSA-N
MW198.22 g/mol
LogP1.40
Rot. Bonds3

About [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate

[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate (PubChem CID 102186231) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate
PubChem CID102186231
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate
SMILESCC(=O)OC1=CC(=O)O[C@@H]1CC(C)C
InChIInChI=1S/C10H14O4/c1-6(2)4-8-9(13-7(3)11)5-10(12)14-8/h5-6,8H,4H2,1-3H3/t8-/m1/s1
InChIKeyBGZIWUQNMMBDIJ-MRVPVSSYSA-N
XLogP1.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
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methyl (2E)-2-[(3S,4S)-4-methoxy-3-methyloxolan-2-ylidene]acetate
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ethyl (2E)-2-(3-propyloxolan-2-ylidene)acetate
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(E,2S)-7-[(2R)-3-methoxy-4-methyl-5-oxo-2H-furan-2-yl]-2,6-dimethylhept-5-enal
CID 44138459
ethyl (2E)-2-[(3S,4S)-4-methoxy-3-prop-2-enyloxolan-2-ylidene]acetate
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2(5H)-Furanone, 5-(3-butenyl)-4-methoxy-
CID 11480668
ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate
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5-(2-Methylpropyl)furan-2(5H)-one
CID 15563570

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate?
The IUPAC name of [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate (CID 102186231) is [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate.
What is the SMILES notation for [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate?
The canonical SMILES for [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate is CC(=O)OC1=CC(=O)O[C@@H]1CC(C)C.
What is the InChIKey of [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate?
The InChIKey is BGZIWUQNMMBDIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(2)4-8-9(13-7(3)11)5-10(12)14-8/h5-6,8H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate?
[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate has a molecular weight of 198.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate is sourced from PubChem (CID 102186231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).