methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate

C22H42O4Si4 — CID 10624664

IUPACmethyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate
SMILESC=C(CC(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C22H42O4Si4/c1-18(22(23)25-3)17-21(19-13-15-20(24-2)16-14-19)26-30(27(4,5)6,28(7,8)9)29(10,11)12/h13-16,21H,1,17H2,2-12H3
InChIKeyKLAUOOKIUONPMX-UHFFFAOYSA-N
MW482.92 g/mol
LogP6.07
Rot. Bonds10

About methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate

methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate (PubChem CID 10624664) has the molecular formula C22H42O4Si4 and a molecular weight of 482.92 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate
PubChem CID10624664
Molecular FormulaC22H42O4Si4
Molecular Weight482.92 g/mol
Exact Mass482.22
IUPAC Namemethyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate
SMILESC=C(CC(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C22H42O4Si4/c1-18(22(23)25-3)17-21(19-13-15-20(24-2)16-14-19)26-30(27(4,5)6,28(7,8)9)29(10,11)12/h13-16,21H,1,17H2,2-12H3
InChIKeyKLAUOOKIUONPMX-UHFFFAOYSA-N
XLogP6.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate 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

[1-(4-methoxyphenyl)-3-methylbut-3-enoxy]-trimethylsilane
CID 89035107
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene
CID 102380603
(4S)-5,5,5-trifluoro-4-(4-methoxyphenyl)pentan-2-one
CID 125476618
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
CID 88961149
CID 88961149
methyl 2-[(4-butan-2-ylphenoxy)methyl]prop-2-enoate
CID 22894436
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate?
The IUPAC name of methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate (CID 10624664) is methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate is C=C(CC(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate?
The InChIKey is KLAUOOKIUONPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4Si4/c1-18(22(23)25-3)17-21(19-13-15-20(24-2)16-14-19)26-30(27(4,5)6,28(7,8)9)29(10,11)12/h13-16,21H,1,17H2,2-12H3.
What are the key properties of methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate?
methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate has a molecular weight of 482.92 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate is sourced from PubChem (CID 10624664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).