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

C16H32O3Si — CID 85341341

IUPACmethyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
SMILESCOC(=O)CCC1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-14-9-7-8-13(12-14)10-11-15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyANYZGJJSDLENRF-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.52
Rot. Bonds5

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

methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate (PubChem CID 85341341) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
PubChem CID85341341
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Namemethyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
SMILESCOC(=O)CCC1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-14-9-7-8-13(12-14)10-11-15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyANYZGJJSDLENRF-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'}

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
3-[4-[1-[2-Fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
CID 70075414
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate
CID 155753323
Tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate
CID 170560386
ethyl (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate
CID 173890232
cis-ethyl (1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate
CID 176105814
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784
4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-cyclohexanecarboxylic acid methyl ester
CID 58668515
methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140518568
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The IUPAC name of methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate (CID 85341341) is methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate.
What is the SMILES notation for methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The canonical SMILES for methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate is COC(=O)CCC1CCCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The InChIKey is ANYZGJJSDLENRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-14-9-7-8-13(12-14)10-11-15(17)18-4/h13-14H,7-12H2,1-6H3.
What are the key properties of methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
methyl 3-[3-[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-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate is sourced from PubChem (CID 85341341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).