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

C10H14O4 — CID 102186230

IUPAC[(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate
SMILESCCCC[C@H]1OC(=O)C=C1OC(C)=O
InChIInChI=1S/C10H14O4/c1-3-4-5-8-9(13-7(2)11)6-10(12)14-8/h6,8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyWHYFPQXDPZYEOB-MRVPVSSYSA-N
MW198.22 g/mol
LogP1.55
Rot. Bonds4

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

[(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate (PubChem CID 102186230) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate
PubChem CID102186230
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate
SMILESCCCC[C@H]1OC(=O)C=C1OC(C)=O
InChIInChI=1S/C10H14O4/c1-3-4-5-8-9(13-7(2)11)6-10(12)14-8/h6,8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyWHYFPQXDPZYEOB-MRVPVSSYSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
5-Butylfuran-2(5H)-one
CID 121779
Annularin G
CID 11412791
Annularin H
CID 11423970
(5R)-4-Methoxy-5-[(2S)-2-hydroxybutyl]-2(5 H)-furanone
CID 101474326
(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one
CID 102055875
6-((7S,8R)-8-propyloxiran-1-yl)-4-methoxy-pyran-2-one
CID 139586249
methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
3-methoxy-2-(2-oxobutyl)-2H-uran-5-one
CID 101474327
2(5H)-Furanone, 4-methoxy-3-(4-pentenyl)-
CID 11458054
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
CID 134894315

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate?
The IUPAC name of [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate (CID 102186230) is [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate.
What is the SMILES notation for [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate?
The canonical SMILES for [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate is CCCC[C@H]1OC(=O)C=C1OC(C)=O.
What is the InChIKey of [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate?
The InChIKey is WHYFPQXDPZYEOB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-4-5-8-9(13-7(2)11)6-10(12)14-8/h6,8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate?
[(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate has a molecular weight of 198.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate is sourced from PubChem (CID 102186230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).