(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one

C11H20O — CID 89189878

IUPAC(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one
SMILESCC(C)[C@H]1CC(=O)C1C(C)(C)C
InChIInChI=1S/C11H20O/c1-7(2)8-6-9(12)10(8)11(3,4)5/h7-8,10H,6H2,1-5H3/t8-,10?/m1/s1
InChIKeyWFLCTERXORKUFK-HNHGDDPOSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds1

About (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one

(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one (PubChem CID 89189878) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one
PubChem CID89189878
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one
SMILESCC(C)[C@H]1CC(=O)C1C(C)(C)C
InChIInChI=1S/C11H20O/c1-7(2)8-6-9(12)10(8)11(3,4)5/h7-8,10H,6H2,1-5H3/t8-,10?/m1/s1
InChIKeyWFLCTERXORKUFK-HNHGDDPOSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-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

Related Compounds

4-tert-Butylcyclohexanone
CID 7392
2,6,8-Trimethyl-4-nonanone
CID 61057
4-tert-Pentylcyclohexanone
CID 27941
2-Dodecylcyclobutanone
CID 161875
2-Pentanone, 4-cyclohexyl-4-methyl-
CID 78640
2-tert-Butylcyclohexanone
CID 102681
2-Tetradecylcyclobutanone
CID 566940
Cyclohexanone, 2,4-bis(1,1-dimethylethyl)-
CID 114442
2-tert-Butylcyclobutan-1-one
CID 20713
2,6-DI-Tert-butyl-cyclohexanone
CID 228973
Ethanone, 1-(2,2-dimethylcyclopentyl)-
CID 537088
3-Tert-butylcyclobutan-1-one
CID 10931442

Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one?
The IUPAC name of (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one (CID 89189878) is (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one.
What is the SMILES notation for (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one?
The canonical SMILES for (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one is CC(C)[C@H]1CC(=O)C1C(C)(C)C.
What is the InChIKey of (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one?
The InChIKey is WFLCTERXORKUFK-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H20O/c1-7(2)8-6-9(12)10(8)11(3,4)5/h7-8,10H,6H2,1-5H3/t8-,10?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one?
(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one has a molecular weight of 168.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one is sourced from PubChem (CID 89189878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).