methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate

C11H18O2Si — CID 134916285

IUPACmethyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate
SMILESC/C=C(\C#C[Si](C)(C)C)CC(=O)OC
InChIInChI=1S/C11H18O2Si/c1-6-10(9-11(12)13-2)7-8-14(3,4)5/h6H,9H2,1-5H3/b10-6+
InChIKeyBFEGSNXFZXZHFG-UXBLZVDNSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds2

About methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate

methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate (PubChem CID 134916285) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate
PubChem CID134916285
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate
SMILESC/C=C(\C#C[Si](C)(C)C)CC(=O)OC
InChIInChI=1S/C11H18O2Si/c1-6-10(9-11(12)13-2)7-8-14(3,4)5/h6H,9H2,1-5H3/b10-6+
InChIKeyBFEGSNXFZXZHFG-UXBLZVDNSA-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
methyl (E)-5-methyl-3-(2-trimethylsilylethynyl)hex-3-enoate
CID 134900437
methyl (Z)-5-methyl-3-(2-trimethylsilylethynyl)hex-3-enoate
CID 134900457
methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate
CID 134916393
methyl (Z)-4-trimethylsilylhept-4-enoate
CID 134989471
methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate
CID 134993624
methyl (E)-7-trimethylsilylhept-5-en-2-ynoate
CID 135041633
Ethyl 4-methyl-2-trimethylsilylpent-3-enoate
CID 145865776
Methyl 4-methyl-9-trimethylsilylnon-4-en-8-ynoate
CID 54139194
methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
CID 88784591
Methyl 2-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)acetate
CID 91203466

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate?
The IUPAC name of methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate (CID 134916285) is methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate?
The canonical SMILES for methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate is C/C=C(\C#C[Si](C)(C)C)CC(=O)OC.
What is the InChIKey of methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate?
The InChIKey is BFEGSNXFZXZHFG-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-6-10(9-11(12)13-2)7-8-14(3,4)5/h6H,9H2,1-5H3/b10-6+.
What are the key properties of methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate?
methyl (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate 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 (Z)-3-(2-trimethylsilylethynyl)pent-3-enoate is sourced from PubChem (CID 134916285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).