methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate

C14H28O3Si — CID 24754731

IUPACmethyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate
SMILESCOC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3Si/c1-11(2)18(12(3)4,13(5)6)17-10-8-9-14(15)16-7/h8-9,11-13H,10H2,1-7H3/b9-8+
InChIKeyLVZCTLUKTVVJHS-CMDGGOBGSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate

methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate (PubChem CID 24754731) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate
PubChem CID24754731
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate
SMILESCOC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3Si/c1-11(2)18(12(3)4,13(5)6)17-10-8-9-14(15)16-7/h8-9,11-13H,10H2,1-7H3/b9-8+
InChIKeyLVZCTLUKTVVJHS-CMDGGOBGSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-4-tri(propan-2-yl)silyloxybut-2-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

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
(3-Acryloxypropyl)methyldimethoxysilane
CID 2756289
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
3-(Methoxydimethylsilyl)propyl Acrylate
CID 9813088
3-(Triallylsilyl)propyl Acrylate (stabilized with MEHQ)
CID 125370311
Methyl 5-(trimethylsilyl)pent-2-EN-4-ynoate
CID 12842677
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate?
The IUPAC name of methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate (CID 24754731) is methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate.
What is the SMILES notation for methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate?
The canonical SMILES for methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate is COC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate?
The InChIKey is LVZCTLUKTVVJHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11(2)18(12(3)4,13(5)6)17-10-8-9-14(15)16-7/h8-9,11-13H,10H2,1-7H3/b9-8+.
What are the key properties of methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate?
methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate is sourced from PubChem (CID 24754731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).