methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate

C11H20O2Si — CID 102198541

IUPACmethyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=C[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-6-5-7-10(8-9)14(2,3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10+/m1/s1
InChIKeyDRLZTMWICYBFHP-ZJUUUORDSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds2

About methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate

methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate (PubChem CID 102198541) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
PubChem CID102198541
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=C[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-6-5-7-10(8-9)14(2,3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10+/m1/s1
InChIKeyDRLZTMWICYBFHP-ZJUUUORDSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate (CID 102198541) is methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC=C[C@H]([Si](C)(C)C)C1.
What is the InChIKey of methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
The InChIKey is DRLZTMWICYBFHP-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-13-11(12)9-6-5-7-10(8-9)14(2,3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 102198541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).