5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one

C15H28O2Si — CID 67916032

IUPAC5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one
SMILESCCCC[Si](C)(C)OC1CC(=O)CC2C1C2(C)C
InChIInChI=1S/C15H28O2Si/c1-6-7-8-18(4,5)17-13-10-11(16)9-12-14(13)15(12,2)3/h12-14H,6-10H2,1-5H3
InChIKeySEZRQDMCEGKAOF-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.01
Rot. Bonds5

About 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one

5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one (PubChem CID 67916032) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one.

Molecular Properties

Compound Name5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one
PubChem CID67916032
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one
SMILESCCCC[Si](C)(C)OC1CC(=O)CC2C1C2(C)C
InChIInChI=1S/C15H28O2Si/c1-6-7-8-18(4,5)17-13-10-11(16)9-12-14(13)15(12,2)3/h12-14H,6-10H2,1-5H3
InChIKeySEZRQDMCEGKAOF-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.01
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 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one?
The IUPAC name of 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one (CID 67916032) is 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one.
What is the SMILES notation for 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one?
The canonical SMILES for 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one is CCCC[Si](C)(C)OC1CC(=O)CC2C1C2(C)C.
What is the InChIKey of 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one?
The InChIKey is SEZRQDMCEGKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-6-7-8-18(4,5)17-13-10-11(16)9-12-14(13)15(12,2)3/h12-14H,6-10H2,1-5H3.
What are the key properties of 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one?
5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one has a molecular weight of 268.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-3-one is sourced from PubChem (CID 67916032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).