5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one

C8H14O3 — CID 71348458

IUPAC5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
SMILESCC(C)(O)C1(C)CCC(=O)O1
InChIInChI=1S/C8H14O3/c1-7(2,10)8(3)5-4-6(9)11-8/h10H,4-5H2,1-3H3
InChIKeyKYPSUMDZYXBFHY-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.85
Rot. Bonds1

About 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one

5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one (PubChem CID 71348458) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
PubChem CID71348458
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
SMILESCC(C)(O)C1(C)CCC(=O)O1
InChIInChI=1S/C8H14O3/c1-7(2,10)8(3)5-4-6(9)11-8/h10H,4-5H2,1-3H3
InChIKeyKYPSUMDZYXBFHY-UHFFFAOYSA-N
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one (CID 71348458) is 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one is CC(C)(O)C1(C)CCC(=O)O1.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
The InChIKey is KYPSUMDZYXBFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(2,10)8(3)5-4-6(9)11-8/h10H,4-5H2,1-3H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one is sourced from PubChem (CID 71348458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).