methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate

C12H20O2Si — CID 15259542

IUPACmethyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
SMILESCOC(=O)C1(C)C=CCC=C1[Si](C)(C)C
InChIInChI=1S/C12H20O2Si/c1-12(11(13)14-2)9-7-6-8-10(12)15(3,4)5/h7-9H,6H2,1-5H3
InChIKeyGNIVKPTWRSEWRY-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.93
Rot. Bonds2

About methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate

methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate (PubChem CID 15259542) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
PubChem CID15259542
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Namemethyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
SMILESCOC(=O)C1(C)C=CCC=C1[Si](C)(C)C
InChIInChI=1S/C12H20O2Si/c1-12(11(13)14-2)9-7-6-8-10(12)15(3,4)5/h7-9H,6H2,1-5H3
InChIKeyGNIVKPTWRSEWRY-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.93
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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Related Compounds

methyl(3E)-5,5-dimethylhex-3-enoate
CID 153434933
Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate
CID 12835116
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
CID 15921993
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate
CID 134968975
ethyl (E)-2-triethylsilylpent-3-enoate
CID 145865775
Ethyl 4-methyl-2-trimethylsilylpent-3-enoate
CID 145865776
ethyl (Z)-4-trimethylsilylpent-3-enoate
CID 20799013
methyl (Z)-6-trimethylsilyloxyhex-3-enoate
CID 57922313

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
The IUPAC name of methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate (CID 15259542) is methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
The canonical SMILES for methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate is COC(=O)C1(C)C=CCC=C1[Si](C)(C)C.
What is the InChIKey of methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
The InChIKey is GNIVKPTWRSEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-12(11(13)14-2)9-7-6-8-10(12)15(3,4)5/h7-9H,6H2,1-5H3.
What are the key properties of methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate has a molecular weight of 224.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate is sourced from PubChem (CID 15259542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).