(2R)-2-hydroxy-2-pentylcyclopentan-1-one

C10H18O2 — CID 134946472

IUPAC(2R)-2-hydroxy-2-pentylcyclopentan-1-one
SMILESCCCCC[C@@]1(O)CCCC1=O
InChIInChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9(10)11/h12H,2-8H2,1H3/t10-/m1/s1
InChIKeyZWBCQNLNQLHMNQ-SNVBAGLBSA-N
MW170.25 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-hydroxy-2-pentylcyclopentan-1-one

(2R)-2-hydroxy-2-pentylcyclopentan-1-one (PubChem CID 134946472) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-pentylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-pentylcyclopentan-1-one
PubChem CID134946472
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-2-hydroxy-2-pentylcyclopentan-1-one
SMILESCCCCC[C@@]1(O)CCCC1=O
InChIInChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9(10)11/h12H,2-8H2,1H3/t10-/m1/s1
InChIKeyZWBCQNLNQLHMNQ-SNVBAGLBSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-hydroxy-2-pentylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-pentylcyclopentan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-pentylcyclopentan-1-one (CID 134946472) is (2R)-2-hydroxy-2-pentylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-pentylcyclopentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-pentylcyclopentan-1-one is CCCCC[C@@]1(O)CCCC1=O.
What is the InChIKey of (2R)-2-hydroxy-2-pentylcyclopentan-1-one?
The InChIKey is ZWBCQNLNQLHMNQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9(10)11/h12H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-pentylcyclopentan-1-one?
(2R)-2-hydroxy-2-pentylcyclopentan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-pentylcyclopentan-1-one is sourced from PubChem (CID 134946472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).