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

C11H20O3Si — CID 134991352

IUPACmethyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC=C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-13-11(12)9-7-5-6-8-10(9)14-15(2,3)4/h6,8-10H,5,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyDCEXQXOXHPXXIS-ZJUUUORDSA-N
MW228.36 g/mol
LogP2.35
Rot. Bonds3

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

methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 134991352) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID134991352
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC=C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-13-11(12)9-7-5-6-8-10(9)14-15(2,3)4/h6,8-10H,5,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyDCEXQXOXHPXXIS-ZJUUUORDSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.35
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

(3R,3aS,7R,7aS)-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101603758
methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 102515896
(E,2R,3S)-3-hydroxy-2-[(1S)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid
CID 134887341
methyl (1S,2R,5R)-2-acetyloxy-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134889758
methyl (1R,2R)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134979475
methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
methyl (1R,2S,6S)-2-methoxy-6-methylcyclohex-3-ene-1-carboxylate
CID 134991242
methyl (1R,2S)-2-methoxycyclohex-3-ene-1-carboxylate
CID 134991350
(3S,3aR,7R,7aR)-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134992231
methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
CID 139250253
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

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 134991352) is methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CCC=C[C@@H]1O[Si](C)(C)C.
What is the InChIKey of methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is DCEXQXOXHPXXIS-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-13-11(12)9-7-5-6-8-10(9)14-15(2,3)4/h6,8-10H,5,7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 228.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134991352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).