cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one

C15H30O2Si — CID 11219456

IUPACcis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one
SMILESC[C@@H]1C(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C15H30O2Si/c1-11-13(16)9-12(15(11,5)6)10-17-18(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyANBKDJZRLFRYNH-NEPJUHHUSA-N
MW270.49 g/mol
LogP4.26
Rot. Bonds3

About cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one

cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one (PubChem CID 11219456) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one
PubChem CID11219456
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Namecis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one
SMILESC[C@@H]1C(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C15H30O2Si/c1-11-13(16)9-12(15(11,5)6)10-17-18(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyANBKDJZRLFRYNH-NEPJUHHUSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one?
The IUPAC name of cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one (CID 11219456) is cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one?
The canonical SMILES for cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one is C[C@@H]1C(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one?
The InChIKey is ANBKDJZRLFRYNH-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11-13(16)9-12(15(11,5)6)10-17-18(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12+/m1/s1.
What are the key properties of cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one?
cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentan-1-one is sourced from PubChem (CID 11219456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).