2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one

C8H12O4 — CID 86739890

IUPAC2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one
SMILESO=C1CCCC1C1(O)OCCO1
InChIInChI=1S/C8H12O4/c9-7-3-1-2-6(7)8(10)11-4-5-12-8/h6,10H,1-5H2
InChIKeyIZIRMIFXGCMVTM-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.05
Rot. Bonds1

About 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one

2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one (PubChem CID 86739890) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one
PubChem CID86739890
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one
SMILESO=C1CCCC1C1(O)OCCO1
InChIInChI=1S/C8H12O4/c9-7-3-1-2-6(7)8(10)11-4-5-12-8/h6,10H,1-5H2
InChIKeyIZIRMIFXGCMVTM-UHFFFAOYSA-N
XLogP0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one (CID 86739890) is 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one is O=C1CCCC1C1(O)OCCO1.
What is the InChIKey of 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one?
The InChIKey is IZIRMIFXGCMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-7-3-1-2-6(7)8(10)11-4-5-12-8/h6,10H,1-5H2.
What are the key properties of 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one?
2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one has a molecular weight of 172.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,3-dioxolan-2-yl)cyclopentan-1-one is sourced from PubChem (CID 86739890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).