methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate

C16H32O3Si — CID 141177675

IUPACmethyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
SMILESCOC(=O)C(C)[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-12(15(17)18-5)13-10-8-9-11-14(13)19-20(6,7)16(2,3)4/h12-14H,8-11H2,1-7H3/t12?,13-,14+/m0/s1
InChIKeyFDOGOMDRVIQSIY-KFTPUPIBSA-N
MW300.51 g/mol
LogP4.38
Rot. Bonds4

About methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate

methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate (PubChem CID 141177675) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
PubChem CID141177675
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Namemethyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
SMILESCOC(=O)C(C)[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-12(15(17)18-5)13-10-8-9-11-14(13)19-20(6,7)16(2,3)4/h12-14H,8-11H2,1-7H3/t12?,13-,14+/m0/s1
InChIKeyFDOGOMDRVIQSIY-KFTPUPIBSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.38
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

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
methyl 2-(2-ethenylcyclohexyl)propanoate
CID 141349607
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
dimethyl 2-[2-[1-[(7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]cyclopropyl]ethyl]propanedioate
CID 68572098
tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
CID 71619673
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate
CID 11428385
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate
CID 57338126

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The IUPAC name of methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate (CID 141177675) is methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate.
What is the SMILES notation for methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The canonical SMILES for methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate is COC(=O)C(C)[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
The InChIKey is FDOGOMDRVIQSIY-KFTPUPIBSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(15(17)18-5)13-10-8-9-11-14(13)19-20(6,7)16(2,3)4/h12-14H,8-11H2,1-7H3/t12?,13-,14+/m0/s1.
What are the key properties of methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate?
methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate has a molecular weight of 300.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate is sourced from PubChem (CID 141177675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).