2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one

C14H28O2Si — CID 16663521

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC1CCCCC1=O
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h12H,6-11H2,1-5H3
InChIKeyVTCYVPREYAXNAN-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one (PubChem CID 16663521) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
PubChem CID16663521
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC1CCCCC1=O
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h12H,6-11H2,1-5H3
InChIKeyVTCYVPREYAXNAN-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.16
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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one (CID 16663521) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OCCC1CCCCC1=O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
The InChIKey is VTCYVPREYAXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h12H,6-11H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one has a molecular weight of 256.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one is sourced from PubChem (CID 16663521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).