(4R)-6-(hydroxymethyl)-4-methyloxan-2-one

C7H12O3 — CID 58858610

IUPAC(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
SMILESC[C@H]1CC(=O)OC(CO)C1
InChIInChI=1S/C7H12O3/c1-5-2-6(4-8)10-7(9)3-5/h5-6,8H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyQXJCAXZPLMIRLB-LWOQYNTDSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds1

About (4R)-6-(hydroxymethyl)-4-methyloxan-2-one

(4R)-6-(hydroxymethyl)-4-methyloxan-2-one (PubChem CID 58858610) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4R)-6-(hydroxymethyl)-4-methyloxan-2-one.

Molecular Properties

Compound Name(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
PubChem CID58858610
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
SMILESC[C@H]1CC(=O)OC(CO)C1
InChIInChI=1S/C7H12O3/c1-5-2-6(4-8)10-7(9)3-5/h5-6,8H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyQXJCAXZPLMIRLB-LWOQYNTDSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-(hydroxymethyl)-4-methyloxan-2-one?
The IUPAC name of (4R)-6-(hydroxymethyl)-4-methyloxan-2-one (CID 58858610) is (4R)-6-(hydroxymethyl)-4-methyloxan-2-one.
What is the SMILES notation for (4R)-6-(hydroxymethyl)-4-methyloxan-2-one?
The canonical SMILES for (4R)-6-(hydroxymethyl)-4-methyloxan-2-one is C[C@H]1CC(=O)OC(CO)C1.
What is the InChIKey of (4R)-6-(hydroxymethyl)-4-methyloxan-2-one?
The InChIKey is QXJCAXZPLMIRLB-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-2-6(4-8)10-7(9)3-5/h5-6,8H,2-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of (4R)-6-(hydroxymethyl)-4-methyloxan-2-one?
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(hydroxymethyl)-4-methyloxan-2-one is sourced from PubChem (CID 58858610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).