(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one

C8H12O4 — CID 162815166

IUPAC(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one
SMILESCC1=C(C[C@@H](C)O)O[C@@H](O)C1=O
InChIInChI=1S/C8H12O4/c1-4(9)3-6-5(2)7(10)8(11)12-6/h4,8-9,11H,3H2,1-2H3/t4-,8-/m1/s1
InChIKeyQTTCVLNLAFARBW-SPGJFGJESA-N
MW172.18 g/mol
LogP-0.05
Rot. Bonds2

About (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one

(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one (PubChem CID 162815166) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one
PubChem CID162815166
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one
SMILESCC1=C(C[C@@H](C)O)O[C@@H](O)C1=O
InChIInChI=1S/C8H12O4/c1-4(9)3-6-5(2)7(10)8(11)12-6/h4,8-9,11H,3H2,1-2H3/t4-,8-/m1/s1
InChIKeyQTTCVLNLAFARBW-SPGJFGJESA-N
XLogP-0.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nemanifuranone B
CID 139590822
Nemanifuranone C
CID 139590823
2-Hydroxy-4-methyl-5-propyluran-3-one
CID 169491901
2,5-dimethyl-4-[(1'-butoxy)ethoxy]-3(2H)-furanone
CID 23321275
2,5-dimethyl-4-[(1'-ethoxy)ethoxy]-3(2H)-furanone
CID 23321276
(2,5-Dimethyl-4-oxofuran-3-yl) hydrogen carbonate
CID 117667869
4-(1-Methoxyethoxy)-2,5-dimethylfuran-3(2H)-one
CID 71337029
4-(Ethoxymethoxy)-2,5-dimethylfuran-3-one
CID 85543357
4-(1-Ethoxypropoxy)-2,5-dimethylfuran-3-one
CID 85543367
(2R)-2-hydroxy-4-methyl-5-propylfuran-3-one
CID 162822250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one?
The IUPAC name of (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one (CID 162815166) is (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one.
What is the SMILES notation for (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one?
The canonical SMILES for (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one is CC1=C(C[C@@H](C)O)O[C@@H](O)C1=O.
What is the InChIKey of (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one?
The InChIKey is QTTCVLNLAFARBW-SPGJFGJESA-N. The full InChI is InChI=1S/C8H12O4/c1-4(9)3-6-5(2)7(10)8(11)12-6/h4,8-9,11H,3H2,1-2H3/t4-,8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one?
(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one has a molecular weight of 172.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one is sourced from PubChem (CID 162815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).