(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one

C9H12O4 — CID 102055875

IUPAC(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one
SMILESCCC(=O)C[C@H]1OC(=O)C=C1OC
InChIInChI=1S/C9H12O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5,8H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyDBZLPCCISTZHHF-MRVPVSSYSA-N
MW184.19 g/mol
LogP0.81
Rot. Bonds4

About (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one

(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one (PubChem CID 102055875) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one
PubChem CID102055875
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one
SMILESCCC(=O)C[C@H]1OC(=O)C=C1OC
InChIInChI=1S/C9H12O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5,8H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyDBZLPCCISTZHHF-MRVPVSSYSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Annularin H
CID 11423970
(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one
CID 163099412
3,4-Dimethoxy-2-cyclopentenone
CID 14356155
3-methoxy-2-(2-oxobutyl)-2H-uran-5-one
CID 101474327
methyl 2-(3-methoxy-5-oxo-2H-furan-2-yl)acetate
CID 15263494
[(2R)-2-butyl-5-oxo-2H-furan-3-yl] acetate
CID 102186230
4,5-Dimethoxycyclohex-3-ene-1,2-dione
CID 4395782
potassium 4-acetyl-2-butyl-5-oxo-2H-furan-3-olate
CID 20645593
3,4-Diethoxycyclopent-2-en-1-one
CID 154192221
(4-acetyl-2-butyl-5-oxo-2H-furan-3-yl) acetate
CID 163612239
2-(2-oxopentyl)-2H-furan-5-one
CID 177320268
[(3aS,5S,7aS)-3-acetyl-2-methyl-5,7a-dihydro-3aH-furo[3,2-b]pyran-5-yl]methyl acetate
CID 10923004

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one?
The IUPAC name of (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one (CID 102055875) is (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one?
The canonical SMILES for (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one is CCC(=O)C[C@H]1OC(=O)C=C1OC.
What is the InChIKey of (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one?
The InChIKey is DBZLPCCISTZHHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5,8H,3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one?
(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one has a molecular weight of 184.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one is sourced from PubChem (CID 102055875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).