3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one

C15H30O2Si — CID 122214308

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C1CCCC(=O)C1
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-15(4,5)12-9-8-10-13(16)11-12/h12H,8-11H2,1-7H3
InChIKeyAWNLVHRSRJXHLU-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.55
Rot. Bonds3

About 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one

3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one (PubChem CID 122214308) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one
PubChem CID122214308
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C1CCCC(=O)C1
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-15(4,5)12-9-8-10-13(16)11-12/h12H,8-11H2,1-7H3
InChIKeyAWNLVHRSRJXHLU-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
4-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-cyclohexanone
CID 90036669
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
3-(1-Trimethylsilyloxycyclohexyl)cyclohexan-1-one
CID 122214305
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817
2-[Tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile
CID 134856331
4-Cyclohexyl-5-trimethylsilyloxyhexan-3-one
CID 134859510
trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one
CID 134872905
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one
CID 135050235
(9aS)-9a-trimethylsilyloxy-2,3,4,4a,6,7,8,9-octahydro-1H-benzo[7]annulen-5-one
CID 154709022
CID 154709384
CID 154709384

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one (CID 122214308) is 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one is CC(C)(O[Si](C)(C)C(C)(C)C)C1CCCC(=O)C1.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one?
The InChIKey is AWNLVHRSRJXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-15(4,5)12-9-8-10-13(16)11-12/h12H,8-11H2,1-7H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one?
3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 122214308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).