methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate

C17H32O3Si — CID 10425685

IUPACmethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H32O3Si/c1-16(2,3)21(7,8)20-14-11-9-10-13(12-14)17(4,5)15(18)19-6/h12-13H,9-11H2,1-8H3
InChIKeyYMTNENBSBJBTEX-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.89
Rot. Bonds4

About methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate (PubChem CID 10425685) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
PubChem CID10425685
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H32O3Si/c1-16(2,3)21(7,8)20-14-11-9-10-13(12-14)17(4,5)15(18)19-6/h12-13H,9-11H2,1-8H3
InChIKeyYMTNENBSBJBTEX-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.89
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

(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
ethyl (1S,2S)-1-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 54598135
methyl 2-[(1R,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 101050724
Methyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-3-enyl]acetate
CID 101142473
ethyl (1R)-1-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 134835004
methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
CID 134844353
methyl (1S,5S,8aS)-1,5,6-trimethyl-5-(3-trimethylsilyloxybut-3-enyl)-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate
CID 134866504
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
CID 134901574
methyl 2-[(1S,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 134983704
[tert-butyl(dimethyl)silyl] (2S)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135018892
[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135040256
methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate
CID 162405123

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate (CID 10425685) is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate is COC(=O)C(C)(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate?
The InChIKey is YMTNENBSBJBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-16(2,3)21(7,8)20-14-11-9-10-13(12-14)17(4,5)15(18)19-6/h12-13H,9-11H2,1-8H3.
What are the key properties of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate?
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate has a molecular weight of 312.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate is sourced from PubChem (CID 10425685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).