3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one

C8H14O3 — CID 90844967

IUPAC3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one
SMILESCC(C)(O)OC1CCC(=O)C1
InChIInChI=1S/C8H14O3/c1-8(2,10)11-7-4-3-6(9)5-7/h7,10H,3-5H2,1-2H3
InChIKeyZUIJXZMKFFGGQK-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.85
Rot. Bonds2

About 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one

3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one (PubChem CID 90844967) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one
PubChem CID90844967
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one
SMILESCC(C)(O)OC1CCC(=O)C1
InChIInChI=1S/C8H14O3/c1-8(2,10)11-7-4-3-6(9)5-7/h7,10H,3-5H2,1-2H3
InChIKeyZUIJXZMKFFGGQK-UHFFFAOYSA-N
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one?
The IUPAC name of 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one (CID 90844967) is 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one is CC(C)(O)OC1CCC(=O)C1.
What is the InChIKey of 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one?
The InChIKey is ZUIJXZMKFFGGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,10)11-7-4-3-6(9)5-7/h7,10H,3-5H2,1-2H3.
What are the key properties of 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one?
3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yloxy)cyclopentan-1-one is sourced from PubChem (CID 90844967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).