methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate

C11H18O2Si — CID 11805971

IUPACmethyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate
SMILESCOC(=O)/C=C(\C)CC#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-10(9-11(12)13-2)7-6-8-14(3,4)5/h9H,7H2,1-5H3/b10-9+
InChIKeyCJCRMXZIWIVWSU-MDZDMXLPSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds2

About methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate

methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate (PubChem CID 11805971) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate.

Molecular Properties

Compound Namemethyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate
PubChem CID11805971
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate
SMILESCOC(=O)/C=C(\C)CC#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-10(9-11(12)13-2)7-6-8-14(3,4)5/h9H,7H2,1-5H3/b10-9+
InChIKeyCJCRMXZIWIVWSU-MDZDMXLPSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate 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

5-trimethylsilylpent-4-yn-2-one
CID 12685334
methyl (Z)-3-methylpent-2-enoate
CID 12524083
dimethyl (E)-3-methylhex-2-enedioate
CID 134916664
methyl (Z)-3-trimethylsilylbut-2-enoate
CID 175176259
methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
CID 88784591
methyl 4-dimethoxyphosphoryl-3-methylbut-2-enoate
CID 54369846
methyl (Z)-3-methyloct-2-enoate
CID 14332772
methyl (Z)-6-bromo-3-methylhex-2-enoate
CID 11333510
(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate
CID 125486342
dimethyl (2E,6E)-3-methylocta-2,6-dienedioate
CID 15749232
methyl 3-hydroxybut-2-enoate
CID 54691070
methyl (2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoate
CID 24976790

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate?
The IUPAC name of methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate (CID 11805971) is methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate.
What is the SMILES notation for methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate?
The canonical SMILES for methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate is COC(=O)/C=C(\C)CC#C[Si](C)(C)C.
What is the InChIKey of methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate?
The InChIKey is CJCRMXZIWIVWSU-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-10(9-11(12)13-2)7-6-8-14(3,4)5/h9H,7H2,1-5H3/b10-9+.
What are the key properties of methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate?
methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate has a molecular weight of 210.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate is sourced from PubChem (CID 11805971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).