(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one

C7H10O3 — CID 58831740

IUPAC(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one
SMILESCOC1=C(C)C(=O)O[C@H]1C
InChIInChI=1S/C7H10O3/c1-4-6(9-3)5(2)10-7(4)8/h5H,1-3H3/t5-/m0/s1
InChIKeyMJMOVENCVKUZOG-YFKPBYRVSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one

(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one (PubChem CID 58831740) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one
PubChem CID58831740
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one
SMILESCOC1=C(C)C(=O)O[C@H]1C
InChIInChI=1S/C7H10O3/c1-4-6(9-3)5(2)10-7(4)8/h5H,1-3H3/t5-/m0/s1
InChIKeyMJMOVENCVKUZOG-YFKPBYRVSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one (CID 58831740) is (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one is COC1=C(C)C(=O)O[C@H]1C.
What is the InChIKey of (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one?
The InChIKey is MJMOVENCVKUZOG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-6(9-3)5(2)10-7(4)8/h5H,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one?
(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 58831740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).