methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate

C19H36O3Si — CID 10831056

IUPACmethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate
SMILESC=C(C)CC/C=C(/CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C19H36O3Si/c1-16(2)12-11-14-17(18(20)21-6)13-9-10-15-22-23(7,8)19(3,4)5/h14H,1,9-13,15H2,2-8H3/b17-14-
InChIKeyHGQGLRNWPWUCSK-VKAVYKQESA-N
MW340.58 g/mol
LogP5.63
Rot. Bonds10

About methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate

methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate (PubChem CID 10831056) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate
PubChem CID10831056
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Namemethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate
SMILESC=C(C)CC/C=C(/CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C19H36O3Si/c1-16(2)12-11-14-17(18(20)21-6)13-9-10-15-22-23(7,8)19(3,4)5/h14H,1,9-13,15H2,2-8H3/b17-14-
InChIKeyHGQGLRNWPWUCSK-VKAVYKQESA-N
XLogP5.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate 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

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
methyl (2Z)-6-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]hepta-2,6-dienoate
CID 155677529
[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate
CID 100970635
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 74029317
[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
CID 135007678
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
dimethyl 2-[(Z)-3-acetyl-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-yl]propanedioate
CID 24938357

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate?
The IUPAC name of methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate (CID 10831056) is methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate.
What is the SMILES notation for methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate?
The canonical SMILES for methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate is C=C(C)CC/C=C(/CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate?
The InChIKey is HGQGLRNWPWUCSK-VKAVYKQESA-N. The full InChI is InChI=1S/C19H36O3Si/c1-16(2)12-11-14-17(18(20)21-6)13-9-10-15-22-23(7,8)19(3,4)5/h14H,1,9-13,15H2,2-8H3/b17-14-.
What are the key properties of methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate?
methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate has a molecular weight of 340.58 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate is sourced from PubChem (CID 10831056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).