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

C7H12O3 — CID 14286870

IUPAC2,2-bis(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CCCC1(CO)CO
InChIInChI=1S/C7H12O3/c8-4-7(5-9)3-1-2-6(7)10/h8-9H,1-5H2
InChIKeyALBKWZHIFCMRBZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.29
Rot. Bonds2

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

2,2-bis(hydroxymethyl)cyclopentan-1-one (PubChem CID 14286870) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)cyclopentan-1-one
PubChem CID14286870
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,2-bis(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CCCC1(CO)CO
InChIInChI=1S/C7H12O3/c8-4-7(5-9)3-1-2-6(7)10/h8-9H,1-5H2
InChIKeyALBKWZHIFCMRBZ-UHFFFAOYSA-N
XLogP-0.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 2,2-bis(hydroxymethyl)cyclopentan-1-one (CID 14286870) is 2,2-bis(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2,2-bis(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 2,2-bis(hydroxymethyl)cyclopentan-1-one is O=C1CCCC1(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)cyclopentan-1-one?
The InChIKey is ALBKWZHIFCMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-4-7(5-9)3-1-2-6(7)10/h8-9H,1-5H2.
What are the key properties of 2,2-bis(hydroxymethyl)cyclopentan-1-one?
2,2-bis(hydroxymethyl)cyclopentan-1-one has a molecular weight of 144.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 14286870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).