(4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one

C10H16O2 — CID 131209177

IUPAC(4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
SMILESCO[C@]1(C)C(=O)C(C)=C(C)[C@@H]1C
InChIInChI=1S/C10H16O2/c1-6-7(2)9(11)10(4,12-5)8(6)3/h8H,1-5H3/t8-,10-/m0/s1
InChIKeyWXMTXROPRFKJGY-WPRPVWTQSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds1

About (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one

(4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one (PubChem CID 131209177) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
PubChem CID131209177
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
SMILESCO[C@]1(C)C(=O)C(C)=C(C)[C@@H]1C
InChIInChI=1S/C10H16O2/c1-6-7(2)9(11)10(4,12-5)8(6)3/h8H,1-5H3/t8-,10-/m0/s1
InChIKeyWXMTXROPRFKJGY-WPRPVWTQSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-5-methoxy-2,3,4,5-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 (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The IUPAC name of (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one (CID 131209177) is (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one is CO[C@]1(C)C(=O)C(C)=C(C)[C@@H]1C.
What is the InChIKey of (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The InChIKey is WXMTXROPRFKJGY-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7(2)9(11)10(4,12-5)8(6)3/h8H,1-5H3/t8-,10-/m0/s1.
What are the key properties of (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
(4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one is sourced from PubChem (CID 131209177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).