methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate

C15H26O3Si — CID 134905889

IUPACmethyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@]2(C)CC[C@H]1C(C)=C2O[Si](C)(C)C
InChIInChI=1S/C15H26O3Si/c1-10-11-7-8-15(2,9-12(11)14(16)17-3)13(10)18-19(4,5)6/h11-12H,7-9H2,1-6H3/t11-,12-,15-/m0/s1
InChIKeyCBXMUYLJRUYKGT-HUBLWGQQSA-N
MW282.46 g/mol
LogP3.72
Rot. Bonds3

About methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate

methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate (PubChem CID 134905889) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate
PubChem CID134905889
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Namemethyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@]2(C)CC[C@H]1C(C)=C2O[Si](C)(C)C
InChIInChI=1S/C15H26O3Si/c1-10-11-7-8-15(2,9-12(11)14(16)17-3)13(10)18-19(4,5)6/h11-12H,7-9H2,1-6H3/t11-,12-,15-/m0/s1
InChIKeyCBXMUYLJRUYKGT-HUBLWGQQSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1S,5S,8aS)-1,5,6-trimethyl-5-(3-trimethylsilyloxybut-3-enyl)-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate
CID 134866504
1-[(1R,2S,4S)-1,6-dimethyl-5-trimethylsilyloxy-2-bicyclo[2.2.2]oct-5-enyl]ethanone
CID 134889460
1-[(1R,2R,4S)-1,6-dimethyl-5-trimethylsilyloxy-2-bicyclo[2.2.2]oct-5-enyl]ethanone
CID 134980727
diethyl (1R,2R,3R,4S)-5,6-bis(trimethylsilyloxy)bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 21675936
ethyl (1S,2R,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-3,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 10872266
ethyl (1S,2S,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-3,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 10893904
methyl (1R,2S,4S)-1-ethenyl-5-methoxybicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 14919662
ethyl (1S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-2-methylidene-3,6,7,8-tetrahydro-1H-naphthalene-1-carboxylate
CID 15941188
ethyl (1R,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-2-methylidene-3,6,7,8-tetrahydro-1H-naphthalene-1-carboxylate
CID 15941189
ethyl (1R,2R,8aR)-1,2-dimethyl-4-trimethylsilyloxy-3,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 16085354
ethyl (1R,2R,8aS)-2-methyl-4-trimethylsilyloxy-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 16085761
methyl (4aS,4bR,8aR,10aS)-2-[tert-butyl(dimethyl)silyl]oxy-4a,7-dimethyl-3,4,4b,5,8,9,10,10a-octahydrophenanthrene-8a-carboxylate
CID 100949577

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate?
The IUPAC name of methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate (CID 134905889) is methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate.
What is the SMILES notation for methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate?
The canonical SMILES for methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate is COC(=O)[C@H]1C[C@]2(C)CC[C@H]1C(C)=C2O[Si](C)(C)C.
What is the InChIKey of methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate?
The InChIKey is CBXMUYLJRUYKGT-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-10-11-7-8-15(2,9-12(11)14(16)17-3)13(10)18-19(4,5)6/h11-12H,7-9H2,1-6H3/t11-,12-,15-/m0/s1.
What are the key properties of methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate?
methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate has a molecular weight of 282.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,4S)-4,6-dimethyl-5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate is sourced from PubChem (CID 134905889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).