[(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate

C19H36O6Si — CID 46894691

IUPAC[(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)OCOCCOC
InChIInChI=1S/C19H36O6Si/c1-9-16(23-15-22-14-13-21-6)17(25-18(20)10-2)11-12-24-26(7,8)19(3,4)5/h9-10,16-17H,1-2,11-15H2,3-8H3/t16-,17-/m1/s1
InChIKeyBLRAQFWTRNBRQJ-IAGOWNOFSA-N
MW388.58 g/mol
LogP3.69
Rot. Bonds14

About [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate

[(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate (PubChem CID 46894691) has the molecular formula C19H36O6Si and a molecular weight of 388.58 g/mol. Its IUPAC name is [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate
PubChem CID46894691
Molecular FormulaC19H36O6Si
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name[(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)OCOCCOC
InChIInChI=1S/C19H36O6Si/c1-9-16(23-15-22-14-13-21-6)17(25-18(20)10-2)11-12-24-26(7,8)19(3,4)5/h9-10,16-17H,1-2,11-15H2,3-8H3/t16-,17-/m1/s1
InChIKeyBLRAQFWTRNBRQJ-IAGOWNOFSA-N
XLogP3.69
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-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

[4-methoxy-4-[(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-yl]oxybutyl] 2,2-dimethylpropanoate
CID 393378
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)-5,6-dihydropyran-2-one
CID 101520627
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-4-en-2-yl] prop-2-enoate
CID 101839469
ethyl (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-enoate
CID 134842529
ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135014566
ethyl (E)-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 138967963
methyl (E)-4-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 146166569
[4-[1-Ethyl-2-(2-trimethylsilylethoxymethoxy)but-3-enoxy]-4-methoxy-butyl] 2,2-dimethylpropanoate
CID 496613
1,3-Dioxolane-4-prop-2-enoic acid, 2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-, methyl ester
CID 5366515

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate?
The IUPAC name of [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate (CID 46894691) is [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate.
What is the SMILES notation for [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate?
The canonical SMILES for [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate is C=CC(=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)OCOCCOC.
What is the InChIKey of [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate?
The InChIKey is BLRAQFWTRNBRQJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H36O6Si/c1-9-16(23-15-22-14-13-21-6)17(25-18(20)10-2)11-12-24-26(7,8)19(3,4)5/h9-10,16-17H,1-2,11-15H2,3-8H3/t16-,17-/m1/s1.
What are the key properties of [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate?
[(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate has a molecular weight of 388.58 g/mol, XLogP of 3.69, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-yl] prop-2-enoate is sourced from PubChem (CID 46894691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).