methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C13H24O4Si — CID 134900767

IUPACmethyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)CC(O[Si](C)(C)C)=C[C@H]1OC
InChIInChI=1S/C13H24O4Si/c1-9-7-10(17-18(4,5)6)8-11(15-2)12(9)13(14)16-3/h8-9,11-12H,7H2,1-6H3/t9-,11+,12+/m0/s1
InChIKeyDOSQYRGMFXHSNI-MVWJERBFSA-N
MW272.42 g/mol
LogP2.57
Rot. Bonds4

About methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 134900767) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID134900767
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)CC(O[Si](C)(C)C)=C[C@H]1OC
InChIInChI=1S/C13H24O4Si/c1-9-7-10(17-18(4,5)6)8-11(15-2)12(9)13(14)16-3/h8-9,11-12H,7H2,1-6H3/t9-,11+,12+/m0/s1
InChIKeyDOSQYRGMFXHSNI-MVWJERBFSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,6S)-2-methoxy-6-methyl-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
1-O-methyl 1-O'-propan-2-yl (1R,6S)-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1,1-dicarboxylate
CID 134979922
(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
(3aR,4S,7aR)-4-methoxy-3a,7a-dimethyl-6-trimethylsilyloxy-4,7-dihydro-2-benzofuran-1,3-dione
CID 14901564
dimethyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedioate
CID 10914446
dimethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedioate
CID 11056555
Methyl-2-methoxy-4-[(trimethylsilyl)oxy]cyclohex-3-ene-1-carboxylate
CID 15496370

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 134900767) is methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1[C@@H](C)CC(O[Si](C)(C)C)=C[C@H]1OC.
What is the InChIKey of methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is DOSQYRGMFXHSNI-MVWJERBFSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-9-7-10(17-18(4,5)6)8-11(15-2)12(9)13(14)16-3/h8-9,11-12H,7H2,1-6H3/t9-,11+,12+/m0/s1.
What are the key properties of methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 272.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134900767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).