(5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one

C10H16O2 — CID 132966203

IUPAC(5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one
SMILESCC1=C(C)C(C)(C)[C@H](CO)C1=O
InChIInChI=1S/C10H16O2/c1-6-7(2)10(3,4)8(5-11)9(6)12/h8,11H,5H2,1-4H3/t8-/m1/s1
InChIKeyBVNJXEMASVQJQJ-MRVPVSSYSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds1

About (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one

(5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one (PubChem CID 132966203) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one
PubChem CID132966203
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one
SMILESCC1=C(C)C(C)(C)[C@H](CO)C1=O
InChIInChI=1S/C10H16O2/c1-6-7(2)10(3,4)8(5-11)9(6)12/h8,11H,5H2,1-4H3/t8-/m1/s1
InChIKeyBVNJXEMASVQJQJ-MRVPVSSYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-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 (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one (CID 132966203) is (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one is CC1=C(C)C(C)(C)[C@H](CO)C1=O.
What is the InChIKey of (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one?
The InChIKey is BVNJXEMASVQJQJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7(2)10(3,4)8(5-11)9(6)12/h8,11H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one?
(5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one is sourced from PubChem (CID 132966203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).