7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one

C17H32O2Si — CID 12537133

IUPAC7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one
SMILESCCCCC1C2CC(O[Si](C)(C)C(C)(C)C)C1CC2=O
InChIInChI=1S/C17H32O2Si/c1-7-8-9-12-13-11-16(14(12)10-15(13)18)19-20(5,6)17(2,3)4/h12-14,16H,7-11H2,1-6H3
InChIKeyJAVJFQMWQBZESZ-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.79
Rot. Bonds5

About 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one

7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one (PubChem CID 12537133) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one
PubChem CID12537133
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one
SMILESCCCCC1C2CC(O[Si](C)(C)C(C)(C)C)C1CC2=O
InChIInChI=1S/C17H32O2Si/c1-7-8-9-12-13-11-16(14(12)10-15(13)18)19-20(5,6)17(2,3)4/h12-14,16H,7-11H2,1-6H3
InChIKeyJAVJFQMWQBZESZ-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.79
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 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one (CID 12537133) is 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one is CCCCC1C2CC(O[Si](C)(C)C(C)(C)C)C1CC2=O.
What is the InChIKey of 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one?
The InChIKey is JAVJFQMWQBZESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-8-9-12-13-11-16(14(12)10-15(13)18)19-20(5,6)17(2,3)4/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one?
7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one has a molecular weight of 296.53 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 12537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).