cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one

C9H18OSi — CID 11008372

IUPACcis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one
SMILESC[C@H]1C[C@@H]([Si](C)(C)C)CC1=O
InChIInChI=1S/C9H18OSi/c1-7-5-8(6-9(7)10)11(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyRLLPIGAAVFXNQO-JGVFFNPUSA-N
MW170.33 g/mol
LogP2.69
Rot. Bonds1

About cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one

cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one (PubChem CID 11008372) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one
PubChem CID11008372
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Namecis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one
SMILESC[C@H]1C[C@@H]([Si](C)(C)C)CC1=O
InChIInChI=1S/C9H18OSi/c1-7-5-8(6-9(7)10)11(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyRLLPIGAAVFXNQO-JGVFFNPUSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one?
The IUPAC name of cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one (CID 11008372) is cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one?
The canonical SMILES for cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one is C[C@H]1C[C@@H]([Si](C)(C)C)CC1=O.
What is the InChIKey of cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one?
The InChIKey is RLLPIGAAVFXNQO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18OSi/c1-7-5-8(6-9(7)10)11(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one?
cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one has a molecular weight of 170.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-2-methyl-4-trimethylsilylcyclopentan-1-one is sourced from PubChem (CID 11008372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).