1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one

C15H30O2Si — CID 10901695

IUPAC1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one
SMILESCCC(=O)[C@@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30O2Si/c1-7-14(16)12-9-8-10-13(11-12)17-18(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyLCWUMGXMQBGNPO-CHWSQXEVSA-N
MW270.49 g/mol
LogP4.55
Rot. Bonds4

About 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one

1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one (PubChem CID 10901695) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one
PubChem CID10901695
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one
SMILESCCC(=O)[C@@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30O2Si/c1-7-14(16)12-9-8-10-13(11-12)17-18(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyLCWUMGXMQBGNPO-CHWSQXEVSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-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

(4r,6s)-4-(t-Butyldimethylsiloxy)-2,2,6-trimethylcyclohexanone
CID 10945529
(4R,6R)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,2,6-trimethyl-cyclohexanone
CID 14584997
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
CID 154722427
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11807310
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
4-(Tert-butyldimethylsilyloxy)-2,2,6-trimethyl cyclohexan-1-one
CID 14584996
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
trans-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11097207
trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
CID 11344921
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one?
The IUPAC name of 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one (CID 10901695) is 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one.
What is the SMILES notation for 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one?
The canonical SMILES for 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one is CCC(=O)[C@@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one?
The InChIKey is LCWUMGXMQBGNPO-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-14(16)12-9-8-10-13(11-12)17-18(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one?
1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one is sourced from PubChem (CID 10901695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).