methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate

C15H28O4Si — CID 15350846

IUPACmethyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
SMILESC=C[C@H](C)OC(C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H28O4Si/c1-10-11(2)18-13(14(16)17-7)12(3)19-20(8,9)15(4,5)6/h10-11,13H,1,3H2,2,4-9H3/t11-,13?/m0/s1
InChIKeyYAMKIBIEWQPNGC-AMGKYWFPSA-N
MW300.47 g/mol
LogP3.65
Rot. Bonds7

About methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate

methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate (PubChem CID 15350846) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate.

Molecular Properties

Compound Namemethyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
PubChem CID15350846
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
SMILESC=C[C@H](C)OC(C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H28O4Si/c1-10-11(2)18-13(14(16)17-7)12(3)19-20(8,9)15(4,5)6/h10-11,13H,1,3H2,2,4-9H3/t11-,13?/m0/s1
InChIKeyYAMKIBIEWQPNGC-AMGKYWFPSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate 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

[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813
prop-2-enyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 12179258
Prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 23251677
3-[Tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
CID 87967479
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
CID 87967553
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 91207977
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
Ethyl 3-[diethoxy(propyl)silyl]oxy-2-prop-2-enoyloxypropanoate
CID 149940850
[Diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate
CID 151882777
2-Trimethylsilylethyl 2-formyloxybut-3-enoate
CID 173253958
[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10610211
prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate
CID 11276976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
The IUPAC name of methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate (CID 15350846) is methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate.
What is the SMILES notation for methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
The canonical SMILES for methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate is C=C[C@H](C)OC(C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
The InChIKey is YAMKIBIEWQPNGC-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10-11(2)18-13(14(16)17-7)12(3)19-20(8,9)15(4,5)6/h10-11,13H,1,3H2,2,4-9H3/t11-,13?/m0/s1.
What are the key properties of methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate?
methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate is sourced from PubChem (CID 15350846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).