methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C12H22O3Si — CID 102515896

IUPACmethyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC(C)=C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-9-6-7-10(12(13)14-2)11(8-9)15-16(3,4)5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m1/s1
InChIKeyULCRJPGLXSWSAL-MNOVXSKESA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds3

About methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate

methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 102515896) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID102515896
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namemethyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC(C)=C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-9-6-7-10(12(13)14-2)11(8-9)15-16(3,4)5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m1/s1
InChIKeyULCRJPGLXSWSAL-MNOVXSKESA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2R)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134979475
methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
(3S,3aR,7R,7aR)-5-ethyl-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134980124
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134991352
methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 10879419
methyl (1S,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 11107643
1-(4-Methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 552995
Ethanone, 1-[4-methyl-2-[(trimethylsilyl)oxy]-3-cyclohexen-1-yl]-, cis-(+/-)-
CID 91696613
Methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 101202524
Methyl 2-acetoxy-4-methylcyclohex-3-ene carboxylate
CID 11715455
Dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 22467099
Ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate
CID 59763113

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 102515896) is methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CCC(C)=C[C@@H]1O[Si](C)(C)C.
What is the InChIKey of methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is ULCRJPGLXSWSAL-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22O3Si/c1-9-6-7-10(12(13)14-2)11(8-9)15-16(3,4)5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 242.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 102515896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).