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

C12H22O4Si — CID 11230670

IUPACmethyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC(O[Si](C)(C)C)=C[C@H]1OC
InChIInChI=1S/C12H22O4Si/c1-14-11-8-9(16-17(3,4)5)6-7-10(11)12(13)15-2/h8,10-11H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyAFJTZYYVUBIMNH-GHMZBOCLSA-N
MW258.39 g/mol
LogP2.32
Rot. Bonds4

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

methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 11230670) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID11230670
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Namemethyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC(O[Si](C)(C)C)=C[C@H]1OC
InChIInChI=1S/C12H22O4Si/c1-14-11-8-9(16-17(3,4)5)6-7-10(11)12(13)15-2/h8,10-11H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyAFJTZYYVUBIMNH-GHMZBOCLSA-N
XLogP2.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-Methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 3559895
methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 14712062
1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone
CID 134836931
methyl (1R,2S,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134889410
methyl (1S,2R,5R)-2-acetyloxy-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134889758
methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134900767
1-O-methyl 1-O'-propan-2-yl (1R,6S)-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1,1-dicarboxylate
CID 134979922
methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
(3S,3aR,7R,7aR)-7-methoxy-3-methyl-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134980126
methyl (3S,3aS,7R,7aR)-7-methoxy-3-methyl-1-oxo-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate
CID 134980127
(3S,3aR,7R,7aR)-3-methyl-5,7-bis(trimethylsilyloxy)-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134980398
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134991352

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 11230670) is methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CCC(O[Si](C)(C)C)=C[C@H]1OC.
What is the InChIKey of methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is AFJTZYYVUBIMNH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-14-11-8-9(16-17(3,4)5)6-7-10(11)12(13)15-2/h8,10-11H,6-7H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 258.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 11230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).