2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one

C12H24O2Si — CID 173390535

IUPAC2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one
SMILESC[SiH](C)OC1CCC(=O)C1(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(2,3)12(4)9(13)7-8-10(12)14-15(5)6/h10,15H,7-8H2,1-6H3
InChIKeyNNXKUIXEROSERB-UHFFFAOYSA-N
MW228.41 g/mol
LogP2.77
Rot. Bonds2

About 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one

2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one (PubChem CID 173390535) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one
PubChem CID173390535
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one
SMILESC[SiH](C)OC1CCC(=O)C1(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(2,3)12(4)9(13)7-8-10(12)14-15(5)6/h10,15H,7-8H2,1-6H3
InChIKeyNNXKUIXEROSERB-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one?
The IUPAC name of 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one (CID 173390535) is 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one?
The canonical SMILES for 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one is C[SiH](C)OC1CCC(=O)C1(C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one?
The InChIKey is NNXKUIXEROSERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(2,3)12(4)9(13)7-8-10(12)14-15(5)6/h10,15H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one?
2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one has a molecular weight of 228.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one is sourced from PubChem (CID 173390535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).