2,2-bis(1-hydroxyethyl)cyclopentan-1-one

C9H16O3 — CID 130030109

IUPAC2,2-bis(1-hydroxyethyl)cyclopentan-1-one
SMILESCC(O)C1(C(C)O)CCCC1=O
InChIInChI=1S/C9H16O3/c1-6(10)9(7(2)11)5-3-4-8(9)12/h6-7,10-11H,3-5H2,1-2H3
InChIKeyOMUZCBOOVJDKGD-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.49
Rot. Bonds2

About 2,2-bis(1-hydroxyethyl)cyclopentan-1-one

2,2-bis(1-hydroxyethyl)cyclopentan-1-one (PubChem CID 130030109) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,2-bis(1-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2-bis(1-hydroxyethyl)cyclopentan-1-one
PubChem CID130030109
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,2-bis(1-hydroxyethyl)cyclopentan-1-one
SMILESCC(O)C1(C(C)O)CCCC1=O
InChIInChI=1S/C9H16O3/c1-6(10)9(7(2)11)5-3-4-8(9)12/h6-7,10-11H,3-5H2,1-2H3
InChIKeyOMUZCBOOVJDKGD-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one (CID 130030109) is 2,2-bis(1-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for 2,2-bis(1-hydroxyethyl)cyclopentan-1-one is CC(O)C1(C(C)O)CCCC1=O.
What is the InChIKey of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
The InChIKey is OMUZCBOOVJDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(10)9(7(2)11)5-3-4-8(9)12/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
2,2-bis(1-hydroxyethyl)cyclopentan-1-one has a molecular weight of 172.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 130030109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).