cyclopentanone;propane-1,2-diol

C8H16O3 — CID 160681344

IUPACcyclopentanone;propane-1,2-diol
SMILESCC(O)CO.O=C1CCCC1
InChIInChI=1S/C5H8O.C3H8O2/c6-5-3-1-2-4-5;1-3(5)2-4/h1-4H2;3-5H,2H2,1H3
InChIKeyROELSTNJDXUIOA-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.49
Rot. Bonds1

About cyclopentanone;propane-1,2-diol

cyclopentanone;propane-1,2-diol (PubChem CID 160681344) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is cyclopentanone;propane-1,2-diol.

Molecular Properties

Compound Namecyclopentanone;propane-1,2-diol
PubChem CID160681344
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namecyclopentanone;propane-1,2-diol
SMILESCC(O)CO.O=C1CCCC1
InChIInChI=1S/C5H8O.C3H8O2/c6-5-3-1-2-4-5;1-3(5)2-4/h1-4H2;3-5H,2H2,1H3
InChIKeyROELSTNJDXUIOA-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopentanone;propane-1,2,3-triol
CID 70347581
2-Pentanone Glycerol
CID 86639488
Heptan-3-one;propane-1,2-diol
CID 118898298
Butane-2,3-diol;butan-2-one
CID 132202257
Cyclopentanone;1-methoxypropan-2-ol
CID 141468485
Cyclopentanone;propan-1-ol
CID 141874404
Pentan-2-one;propane-1,2-diol
CID 146225480
Butane-1,3-diol;cyclopentanone
CID 157365903
Cyclopentanone;propane-1,3-diol
CID 157601931
Nonan-5-one;propane-1,2-diol
CID 158220819
Pentane-2,4-dione;propane-1,2-diol
CID 159795376
Cyclopentanone;ethane-1,2-diol
CID 160614411

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;propane-1,2-diol?
The IUPAC name of cyclopentanone;propane-1,2-diol (CID 160681344) is cyclopentanone;propane-1,2-diol.
What is the SMILES notation for cyclopentanone;propane-1,2-diol?
The canonical SMILES for cyclopentanone;propane-1,2-diol is CC(O)CO.O=C1CCCC1.
What is the InChIKey of cyclopentanone;propane-1,2-diol?
The InChIKey is ROELSTNJDXUIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C3H8O2/c6-5-3-1-2-4-5;1-3(5)2-4/h1-4H2;3-5H,2H2,1H3.
What are the key properties of cyclopentanone;propane-1,2-diol?
cyclopentanone;propane-1,2-diol has a molecular weight of 160.21 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;propane-1,2-diol is sourced from PubChem (CID 160681344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).