methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate

C16H32O3Si — CID 85341340

IUPACmethyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
SMILESCOC(=O)CCC1CCCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-14-10-8-7-9-13(14)11-12-15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyKDZUJYMDBMWSPA-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.52
Rot. Bonds5

About methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate

methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate (PubChem CID 85341340) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
PubChem CID85341340
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Namemethyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
SMILESCOC(=O)CCC1CCCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-14-10-8-7-9-13(14)11-12-15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyKDZUJYMDBMWSPA-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate 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

Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
Trimethylsilyl 4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 533404
Cyclohexanecarboxylic acid, 4-methoxy-, nonyl ester
CID 91695747
Cyclohexanecarboxylic acid, 4-methoxy-, decyl ester
CID 91695748
Cyclohexanecarboxylic acid, 4-methoxy-, undecyl ester
CID 91695749
Cyclohexanecarboxylic acid, 4-methoxy-, dodecyl ester
CID 91695750
Cyclohexanecarboxylic acid, 4-methoxy-, tridecyl ester
CID 91695751
Cyclohexanecarboxylic acid, 4-methoxy-, pentadecyl ester
CID 91695800
Cyclohexanecarboxylic acid, 4-methoxy-, tetradecyl ester
CID 91695802
Cyclohexanecarboxylic acid, 4-methoxy-, octadecyl ester
CID 91696006
Cyclohexanecarboxylic acid, 4-methoxy-, hexadecyl ester
CID 91696007

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The IUPAC name of methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate (CID 85341340) is methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate.
What is the SMILES notation for methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The canonical SMILES for methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate is COC(=O)CCC1CCCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The InChIKey is KDZUJYMDBMWSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-14-10-8-7-9-13(14)11-12-15(17)18-4/h13-14H,7-12H2,1-6H3.
What are the key properties of methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate has a molecular weight of 300.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate is sourced from PubChem (CID 85341340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).