5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one

C9H16O4 — CID 163720234

IUPAC5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one
SMILESCCC(OC)C1C(O)OC(=O)C1C
InChIInChI=1S/C9H16O4/c1-4-6(12-3)7-5(2)8(10)13-9(7)11/h5-7,9,11H,4H2,1-3H3
InChIKeyKQXBTWGOUSAOGC-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.54
Rot. Bonds3

About 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one

5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one (PubChem CID 163720234) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one
PubChem CID163720234
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one
SMILESCCC(OC)C1C(O)OC(=O)C1C
InChIInChI=1S/C9H16O4/c1-4-6(12-3)7-5(2)8(10)13-9(7)11/h5-7,9,11H,4H2,1-3H3
InChIKeyKQXBTWGOUSAOGC-UHFFFAOYSA-N
XLogP0.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one?
The IUPAC name of 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one (CID 163720234) is 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one?
The canonical SMILES for 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one is CCC(OC)C1C(O)OC(=O)C1C.
What is the InChIKey of 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one?
The InChIKey is KQXBTWGOUSAOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-6(12-3)7-5(2)8(10)13-9(7)11/h5-7,9,11H,4H2,1-3H3.
What are the key properties of 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one?
5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(1-methoxypropyl)-3-methyloxolan-2-one is sourced from PubChem (CID 163720234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).