3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one

C9H16O4 — CID 11008662

IUPAC3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one
SMILESCC(O)CC1CC(CCO)C(=O)O1
InChIInChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3
InChIKeyFWOZSTFAXJAMFE-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.07
Rot. Bonds4

About 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one

3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one (PubChem CID 11008662) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one
PubChem CID11008662
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one
SMILESCC(O)CC1CC(CCO)C(=O)O1
InChIInChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3
InChIKeyFWOZSTFAXJAMFE-UHFFFAOYSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one (CID 11008662) is 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one is CC(O)CC1CC(CCO)C(=O)O1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one?
The InChIKey is FWOZSTFAXJAMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one?
3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one is sourced from PubChem (CID 11008662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).