2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one

C13H22O2 — CID 13146899

IUPAC2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
SMILESC=C(C)CC1(O)C(=O)C(C)(C)CC1(C)C
InChIInChI=1S/C13H22O2/c1-9(2)7-13(15)10(14)11(3,4)8-12(13,5)6/h15H,1,7-8H2,2-6H3
InChIKeyTZNSGAACZXQPIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.71
Rot. Bonds2

About 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one

2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one (PubChem CID 13146899) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
PubChem CID13146899
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
SMILESC=C(C)CC1(O)C(=O)C(C)(C)CC1(C)C
InChIInChI=1S/C13H22O2/c1-9(2)7-13(15)10(14)11(3,4)8-12(13,5)6/h15H,1,7-8H2,2-6H3
InChIKeyTZNSGAACZXQPIW-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The IUPAC name of 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one (CID 13146899) is 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one.
What is the SMILES notation for 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The canonical SMILES for 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one is C=C(C)CC1(O)C(=O)C(C)(C)CC1(C)C.
What is the InChIKey of 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The InChIKey is TZNSGAACZXQPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)7-13(15)10(14)11(3,4)8-12(13,5)6/h15H,1,7-8H2,2-6H3.
What are the key properties of 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 13146899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).