trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one

C12H24O2Si — CID 15272466

IUPACtrans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one
SMILESC[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-9-7-10(13)8-11(9)14-15(5,6)12(2,3)4/h9,11H,7-8H2,1-6H3/t9-,11-/m0/s1
InChIKeyACCXAFWVVYQOCU-ONGXEEELSA-N
MW228.41 g/mol
LogP3.38
Rot. Bonds2

About trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one

trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one (PubChem CID 15272466) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one
PubChem CID15272466
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one
SMILESC[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-9-7-10(13)8-11(9)14-15(5,6)12(2,3)4/h9,11H,7-8H2,1-6H3/t9-,11-/m0/s1
InChIKeyACCXAFWVVYQOCU-ONGXEEELSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.38
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 trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one?
The IUPAC name of trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one (CID 15272466) is trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one.
What is the SMILES notation for trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one?
The canonical SMILES for trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one is C[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one?
The InChIKey is ACCXAFWVVYQOCU-ONGXEEELSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-9-7-10(13)8-11(9)14-15(5,6)12(2,3)4/h9,11H,7-8H2,1-6H3/t9-,11-/m0/s1.
What are the key properties of trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one?
trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one has a molecular weight of 228.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one is sourced from PubChem (CID 15272466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).