(1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one

C11H19ClO2Si — CID 102498904

IUPAC(1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one
SMILESCC1(Cl)C(=O)C2CCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C11H19ClO2Si/c1-10(12)9(13)8-6-5-7-11(8,10)14-15(2,3)4/h8H,5-7H2,1-4H3/t8?,10?,11-/m1/s1
InChIKeySTTIYWWJLVMEAQ-BOBPJJCASA-N
MW246.81 g/mol
LogP2.96
Rot. Bonds2

About (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one

(1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one (PubChem CID 102498904) has the molecular formula C11H19ClO2Si and a molecular weight of 246.81 g/mol. Its IUPAC name is (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one
PubChem CID102498904
Molecular FormulaC11H19ClO2Si
Molecular Weight246.81 g/mol
Exact Mass246.08
IUPAC Name(1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one
SMILESCC1(Cl)C(=O)C2CCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C11H19ClO2Si/c1-10(12)9(13)8-6-5-7-11(8,10)14-15(2,3)4/h8H,5-7H2,1-4H3/t8?,10?,11-/m1/s1
InChIKeySTTIYWWJLVMEAQ-BOBPJJCASA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-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

(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
CID 53307531
(1R,2S,7R,8S)-1,12-dibromo-2-trimethylsilyloxy-9-oxatricyclo[6.2.2.02,7]dodec-11-en-10-one
CID 11774576
1-chlorobicyclo[2.2.1]heptan-7-one
CID 12706156
cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile
CID 102100995
6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
CID 10583057
methyl 1-chloro-3-methyl-2-oxocyclohexane-1-carboxylate
CID 102089438
2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
CID 86006235
6-trimethylsilyloxy-3-(1-trimethylsilyloxycyclopentyl)-3,4-dihydropyran-2-one
CID 15164074
5,9,9-trimethyloxonan-2-one
CID 11148110
(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one
CID 10821251
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 10934984

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one (CID 102498904) is (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one is CC1(Cl)C(=O)C2CCC[C@@]21O[Si](C)(C)C.
What is the InChIKey of (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one?
The InChIKey is STTIYWWJLVMEAQ-BOBPJJCASA-N. The full InChI is InChI=1S/C11H19ClO2Si/c1-10(12)9(13)8-6-5-7-11(8,10)14-15(2,3)4/h8H,5-7H2,1-4H3/t8?,10?,11-/m1/s1.
What are the key properties of (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one?
(1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one has a molecular weight of 246.81 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-7-methyl-1-trimethylsilyloxybicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 102498904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).