(3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

C6H10O4 — CID 15127371

IUPAC(3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@]1(O)CC(CO)OC1=O
InChIInChI=1S/C6H10O4/c1-6(9)2-4(3-7)10-5(6)8/h4,7,9H,2-3H2,1H3/t4?,6-/m1/s1
InChIKeyMLENSAHHXOXLCJ-BAFYGKSASA-N
MW146.14 g/mol
LogP-0.95
Rot. Bonds1

About (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

(3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (PubChem CID 15127371) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
PubChem CID15127371
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@]1(O)CC(CO)OC1=O
InChIInChI=1S/C6H10O4/c1-6(9)2-4(3-7)10-5(6)8/h4,7,9H,2-3H2,1H3/t4?,6-/m1/s1
InChIKeyMLENSAHHXOXLCJ-BAFYGKSASA-N
XLogP-0.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The IUPAC name of (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (CID 15127371) is (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is C[C@@]1(O)CC(CO)OC1=O.
What is the InChIKey of (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The InChIKey is MLENSAHHXOXLCJ-BAFYGKSASA-N. The full InChI is InChI=1S/C6H10O4/c1-6(9)2-4(3-7)10-5(6)8/h4,7,9H,2-3H2,1H3/t4?,6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
(3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one has a molecular weight of 146.14 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 15127371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).