methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate

C14H26O3Si — CID 11076513

IUPACmethyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
SMILESCOC(=O)C(C)(C)C1C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H26O3Si/c1-14(2,13(15)16-3)11-8-7-9-12(10-11)17-18(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyUNYMVJZKSUMTOV-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.72
Rot. Bonds4

About methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate

methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate (PubChem CID 11076513) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
PubChem CID11076513
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
SMILESCOC(=O)C(C)(C)C1C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H26O3Si/c1-14(2,13(15)16-3)11-8-7-9-12(10-11)17-18(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyUNYMVJZKSUMTOV-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.72
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

Methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
CID 13096503
methyl (3R)-3-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butanoate
CID 11020552
dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
CID 25208498
methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
CID 134844353
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
CID 134901574
[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
Methyl 2-methyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)propanoate
CID 10489349
2-Cyclohexene-1-propanoic acid, 3-[(trimethylsilyl)oxy]-, ethyl ester
CID 11011074
Ethyl 3-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate
CID 53304458
methyl 3-[(1R)-1-methyl-2-trimethylsilyloxycyclopent-2-en-1-yl]propanoate
CID 101768064

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate (CID 11076513) is methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate is COC(=O)C(C)(C)C1C=C(O[Si](C)(C)C)CCC1.
What is the InChIKey of methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The InChIKey is UNYMVJZKSUMTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,13(15)16-3)11-8-7-9-12(10-11)17-18(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate has a molecular weight of 270.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate is sourced from PubChem (CID 11076513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).