(3R)-3-hydroxy-3-methyloxan-2-one

C6H10O3 — CID 122221331

IUPAC(3R)-3-hydroxy-3-methyloxan-2-one
SMILESC[C@@]1(O)CCCOC1=O
InChIInChI=1S/C6H10O3/c1-6(8)3-2-4-9-5(6)7/h8H,2-4H2,1H3/t6-/m1/s1
InChIKeyMISJRAXTGWOCLJ-ZCFIWIBFSA-N
MW130.14 g/mol
LogP0.07
Rot. Bonds

About (3R)-3-hydroxy-3-methyloxan-2-one

(3R)-3-hydroxy-3-methyloxan-2-one (PubChem CID 122221331) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyloxan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyloxan-2-one
PubChem CID122221331
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R)-3-hydroxy-3-methyloxan-2-one
SMILESC[C@@]1(O)CCCOC1=O
InChIInChI=1S/C6H10O3/c1-6(8)3-2-4-9-5(6)7/h8H,2-4H2,1H3/t6-/m1/s1
InChIKeyMISJRAXTGWOCLJ-ZCFIWIBFSA-N
XLogP0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyloxan-2-one?
The IUPAC name of (3R)-3-hydroxy-3-methyloxan-2-one (CID 122221331) is (3R)-3-hydroxy-3-methyloxan-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-methyloxan-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-methyloxan-2-one is C[C@@]1(O)CCCOC1=O.
What is the InChIKey of (3R)-3-hydroxy-3-methyloxan-2-one?
The InChIKey is MISJRAXTGWOCLJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(8)3-2-4-9-5(6)7/h8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-methyloxan-2-one?
(3R)-3-hydroxy-3-methyloxan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyloxan-2-one is sourced from PubChem (CID 122221331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).