ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate

C10H16O2Si — CID 135015774

IUPACethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C10H16O2Si/c1-5-12-10(11)8-6-7-9-13(2,3)4/h6,8H,5H2,1-4H3/b8-6-
InChIKeyRRWCTUSPAWFXDF-VURMDHGXSA-N
MW196.32 g/mol
LogP1.99
Rot. Bonds2

About ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate

ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate (PubChem CID 135015774) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate.

Molecular Properties

Compound Nameethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate
PubChem CID135015774
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Nameethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C10H16O2Si/c1-5-12-10(11)8-6-7-9-13(2,3)4/h6,8H,5H2,1-4H3/b8-6-
InChIKeyRRWCTUSPAWFXDF-VURMDHGXSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.99
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'}

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Related Compounds

3-(Methoxydimethylsilyl)propyl Acrylate
CID 9813088
Methyl 5-(trimethylsilyl)pent-2-EN-4-ynoate
CID 12842677
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706
ethyl (E)-hex-2-en-4-ynoate
CID 15250166
2-Penten-4-ynoic acid, 3-methyl-5-(trimethylsilyl)-, ethyl ester, (2E)-
CID 15858658
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
2-(Trimethylsilyl)ethyl acrylate
CID 22182288
3-Methylacryloxypropyltrimethoxysilane
CID 54181231

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate?
The IUPAC name of ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate (CID 135015774) is ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate.
What is the SMILES notation for ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate?
The canonical SMILES for ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate is CCOC(=O)/C=C\C#C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate?
The InChIKey is RRWCTUSPAWFXDF-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-5-12-10(11)8-6-7-9-13(2,3)4/h6,8H,5H2,1-4H3/b8-6-.
What are the key properties of ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate?
ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate has a molecular weight of 196.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate is sourced from PubChem (CID 135015774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).