[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate

C18H32O3Si — CID 102075174

IUPAC[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate
SMILESC=C[C@@](C)(/C=C/COC(=O)C(=C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-10-18(7,12-11-13-20-16(19)15(2)3)14-21-22(8,9)17(4,5)6/h10-12H,1-2,13-14H2,3-9H3/b12-11+/t18-/m0/s1
InChIKeyKLRQDSPJOZQSMM-DXRVJIQQSA-N
MW324.54 g/mol
LogP4.88
Rot. Bonds8

About [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate

[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate (PubChem CID 102075174) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate
PubChem CID102075174
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate
SMILESC=C[C@@](C)(/C=C/COC(=O)C(=C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-10-18(7,12-11-13-20-16(19)15(2)3)14-21-22(8,9)17(4,5)6/h10-12H,1-2,13-14H2,3-9H3/b12-11+/t18-/m0/s1
InChIKeyKLRQDSPJOZQSMM-DXRVJIQQSA-N
XLogP4.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-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

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309
ethyl (2E,4E,6E,8E,10E,12E,14E,16S)-17-[tert-butyl(dimethyl)silyl]oxy-16-methylheptadeca-2,4,6,8,10,12,14-heptaenoate
CID 11396255
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
CID 11800422
[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
CID 24850677
ethyl (2E)-4,4-dimethyl-5-trimethylsilyloxyhexa-2,5-dienoate
CID 60166939
CID 86153059
CID 86153059
methyl (2E,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate
CID 101181428
methyl (2E,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxy-2-methyltrideca-2,4,6,8,10-pentaenoate
CID 101181430

Frequently Asked Questions

What is the IUPAC name of [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate?
The IUPAC name of [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate (CID 102075174) is [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate is C=C[C@@](C)(/C=C/COC(=O)C(=C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate?
The InChIKey is KLRQDSPJOZQSMM-DXRVJIQQSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-10-18(7,12-11-13-20-16(19)15(2)3)14-21-22(8,9)17(4,5)6/h10-12H,1-2,13-14H2,3-9H3/b12-11+/t18-/m0/s1.
What are the key properties of [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate?
[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate has a molecular weight of 324.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate is sourced from PubChem (CID 102075174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).