silyl 2-ethyl-2-ethynylbut-3-ynoate

C8H10O2Si — CID 123459846

IUPACsilyl 2-ethyl-2-ethynylbut-3-ynoate
SMILESC#CC(C#C)(CC)C(=O)O[SiH3]
InChIInChI=1S/C8H10O2Si/c1-4-8(5-2,6-3)7(9)10-11/h1-2H,6H2,3,11H3
InChIKeyOWXBGJPEQMTPJJ-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.53
Rot. Bonds2

About silyl 2-ethyl-2-ethynylbut-3-ynoate

silyl 2-ethyl-2-ethynylbut-3-ynoate (PubChem CID 123459846) has the molecular formula C8H10O2Si and a molecular weight of 166.25 g/mol. Its IUPAC name is silyl 2-ethyl-2-ethynylbut-3-ynoate.

Molecular Properties

Compound Namesilyl 2-ethyl-2-ethynylbut-3-ynoate
PubChem CID123459846
Molecular FormulaC8H10O2Si
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Namesilyl 2-ethyl-2-ethynylbut-3-ynoate
SMILESC#CC(C#C)(CC)C(=O)O[SiH3]
InChIInChI=1S/C8H10O2Si/c1-4-8(5-2,6-3)7(9)10-11/h1-2H,6H2,3,11H3
InChIKeyOWXBGJPEQMTPJJ-UHFFFAOYSA-N
XLogP-0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.53
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'}

Analyze silyl 2-ethyl-2-ethynylbut-3-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

silyl 2-ethyl-2-propylpentanoate
CID 173274588
4-ethoxy-4-ethylhex-1-yn-3-one
CID 116747175
2,2-diethylbut-3-ynyl hydrogen carbonate
CID 152687390
silyl 2,2,3-trimethylhexanoate
CID 123494675
2-methylbut-3-yn-2-yl 2,2,2-trifluoroacetate
CID 11830027
silyl 2,2,3-triethylhexanoate
CID 173470037
silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate
CID 173469925
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
bis(4-ethyl-2,4-dimethylhex-5-yn-2-yl) 3,3,5,5-tetramethylheptanedioate
CID 123215467
2,2,4,4-tetramethylhex-5-ynoyl 2,2,4,4-tetramethylhex-5-ynoate
CID 88906640
5-ethyl-5-methoxyhept-1-yn-4-one
CID 116747533
diethyl 2-ethynyl-2-prop-1-enylpropanedioate
CID 141406033

Frequently Asked Questions

What is the IUPAC name of silyl 2-ethyl-2-ethynylbut-3-ynoate?
The IUPAC name of silyl 2-ethyl-2-ethynylbut-3-ynoate (CID 123459846) is silyl 2-ethyl-2-ethynylbut-3-ynoate.
What is the SMILES notation for silyl 2-ethyl-2-ethynylbut-3-ynoate?
The canonical SMILES for silyl 2-ethyl-2-ethynylbut-3-ynoate is C#CC(C#C)(CC)C(=O)O[SiH3].
What is the InChIKey of silyl 2-ethyl-2-ethynylbut-3-ynoate?
The InChIKey is OWXBGJPEQMTPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2Si/c1-4-8(5-2,6-3)7(9)10-11/h1-2H,6H2,3,11H3.
What are the key properties of silyl 2-ethyl-2-ethynylbut-3-ynoate?
silyl 2-ethyl-2-ethynylbut-3-ynoate has a molecular weight of 166.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-ethyl-2-ethynylbut-3-ynoate is sourced from PubChem (CID 123459846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).