(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one

C9H12O2 — CID 10397001

IUPAC(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESCC1=C(C)[C@]2(C)O[C@]2(C)C1=O
InChIInChI=1S/C9H12O2/c1-5-6(2)8(3)9(4,11-8)7(5)10/h1-4H3/t8-,9+/m0/s1
InChIKeyYLSIHLXJMZJSRV-DTWKUNHWSA-N
MW152.19 g/mol
LogP1.45
Rot. Bonds

About (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one

(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one (PubChem CID 10397001) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
PubChem CID10397001
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESCC1=C(C)[C@]2(C)O[C@]2(C)C1=O
InChIInChI=1S/C9H12O2/c1-5-6(2)8(3)9(4,11-8)7(5)10/h1-4H3/t8-,9+/m0/s1
InChIKeyYLSIHLXJMZJSRV-DTWKUNHWSA-N
XLogP1.45
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5,6,7,8-Tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 134892402
1,3,4,6-Tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
CID 58150492
3,4-Dimethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 154560070
1,3,4,5-Tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 15647362
2,2,4,5-Tetramethyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507299
(3R)-2,2,4,5-tetramethyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 102190720

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one (CID 10397001) is (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one is CC1=C(C)[C@]2(C)O[C@]2(C)C1=O.
What is the InChIKey of (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is YLSIHLXJMZJSRV-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H12O2/c1-5-6(2)8(3)9(4,11-8)7(5)10/h1-4H3/t8-,9+/m0/s1.
What are the key properties of (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 10397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).