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

C7H10O3 — CID 130737526

IUPAC(2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one
SMILESCC1=C(C)[C@@H](CO)OC1=O
InChIInChI=1S/C7H10O3/c1-4-5(2)7(9)10-6(4)3-8/h6,8H,3H2,1-2H3/t6-/m1/s1
InChIKeyQSLFVMRGKYSQEO-ZCFIWIBFSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

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

(2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one (PubChem CID 130737526) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one
PubChem CID130737526
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one
SMILESCC1=C(C)[C@@H](CO)OC1=O
InChIInChI=1S/C7H10O3/c1-4-5(2)7(9)10-6(4)3-8/h6,8H,3H2,1-2H3/t6-/m1/s1
InChIKeyQSLFVMRGKYSQEO-ZCFIWIBFSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one (CID 130737526) is (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one is CC1=C(C)[C@@H](CO)OC1=O.
What is the InChIKey of (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one?
The InChIKey is QSLFVMRGKYSQEO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(2)7(9)10-6(4)3-8/h6,8H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one?
(2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 130737526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).