cyclopentanone;propane-1,2,3-triol

C8H16O4 — CID 70347581

IUPACcyclopentanone;propane-1,2,3-triol
SMILESO=C1CCCC1.OCC(O)CO
InChIInChI=1S/C5H8O.C3H8O3/c6-5-3-1-2-4-5;4-1-3(6)2-5/h1-4H2;3-6H,1-2H2
InChIKeyFPUVDGBWMRASAP-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.54
Rot. Bonds2

About cyclopentanone;propane-1,2,3-triol

cyclopentanone;propane-1,2,3-triol (PubChem CID 70347581) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is cyclopentanone;propane-1,2,3-triol.

Molecular Properties

Compound Namecyclopentanone;propane-1,2,3-triol
PubChem CID70347581
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namecyclopentanone;propane-1,2,3-triol
SMILESO=C1CCCC1.OCC(O)CO
InChIInChI=1S/C5H8O.C3H8O3/c6-5-3-1-2-4-5;4-1-3(6)2-5/h1-4H2;3-6H,1-2H2
InChIKeyFPUVDGBWMRASAP-UHFFFAOYSA-N
XLogP-0.54
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentanone;propane-1,2,3-triol?
The IUPAC name of cyclopentanone;propane-1,2,3-triol (CID 70347581) is cyclopentanone;propane-1,2,3-triol.
What is the SMILES notation for cyclopentanone;propane-1,2,3-triol?
The canonical SMILES for cyclopentanone;propane-1,2,3-triol is O=C1CCCC1.OCC(O)CO.
What is the InChIKey of cyclopentanone;propane-1,2,3-triol?
The InChIKey is FPUVDGBWMRASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C3H8O3/c6-5-3-1-2-4-5;4-1-3(6)2-5/h1-4H2;3-6H,1-2H2.
What are the key properties of cyclopentanone;propane-1,2,3-triol?
cyclopentanone;propane-1,2,3-triol has a molecular weight of 176.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;propane-1,2,3-triol is sourced from PubChem (CID 70347581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).