methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate

C19H30O3Si — CID 90988702

IUPACmethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate
SMILESCOC(=O)C=CCC(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H30O3Si/c1-15(10-8-13-18(20)21-5)16-11-9-12-17(14-16)22-23(6,7)19(2,3)4/h8-9,11-15H,10H2,1-7H3
InChIKeyWHVPYMSNZJIOFW-UHFFFAOYSA-N
MW334.53 g/mol
LogP5.29
Rot. Bonds6

About methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate

methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate (PubChem CID 90988702) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate.

Molecular Properties

Compound Namemethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate
PubChem CID90988702
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Namemethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate
SMILESCOC(=O)C=CCC(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H30O3Si/c1-15(10-8-13-18(20)21-5)16-11-9-12-17(14-16)22-23(6,7)19(2,3)4/h8-9,11-15H,10H2,1-7H3
InChIKeyWHVPYMSNZJIOFW-UHFFFAOYSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.29
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 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-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

1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
CID 102344497
methyl (3S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclopropyl-2-fluoro-2-methylpropanoate
CID 151278311
methyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-6-methyl-8-phenyloct-2-enoate
CID 11101270
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-dimethylphenyl)pent-2-enoate
CID 58567257
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
CID 59524403
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965
methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate
CID 134833844

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate?
The IUPAC name of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate (CID 90988702) is methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate.
What is the SMILES notation for methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate?
The canonical SMILES for methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate is COC(=O)C=CCC(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate?
The InChIKey is WHVPYMSNZJIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-15(10-8-13-18(20)21-5)16-11-9-12-17(14-16)22-23(6,7)19(2,3)4/h8-9,11-15H,10H2,1-7H3.
What are the key properties of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate?
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate has a molecular weight of 334.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate is sourced from PubChem (CID 90988702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).