prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate

C17H34O6Si — CID 11013912

IUPACprop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate
SMILESC=CCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCCOC
InChIInChI=1S/C17H34O6Si/c1-8-9-21-16(18)12-15(22-14-20-11-10-19-5)13-23-24(6,7)17(2,3)4/h8,15H,1,9-14H2,2-7H3/t15-/m0/s1
InChIKeyZOVOYEVMOUWNAC-HNNXBMFYSA-N
MW362.54 g/mol
LogP3.13
Rot. Bonds13

About prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate

prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate (PubChem CID 11013912) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate.

Molecular Properties

Compound Nameprop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate
PubChem CID11013912
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Nameprop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate
SMILESC=CCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCCOC
InChIInChI=1S/C17H34O6Si/c1-8-9-21-16(18)12-15(22-14-20-11-10-19-5)13-23-24(6,7)17(2,3)4/h8,15H,1,9-14H2,2-7H3/t15-/m0/s1
InChIKeyZOVOYEVMOUWNAC-HNNXBMFYSA-N
XLogP3.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.13
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'}

Analyze prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate 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

(2S,3S)-4-(allyloxy)-3-(tert-butoxycarbonyl)-2-(tert-butyldimethylsilyloxy)butyl acetate
CID 87348682
tert-butyl (2S,3R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate
CID 87348684
Tert-butyl 4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate
CID 87348687
Bis(prop-2-enyl) 2-triethylsilyloxybutanedioate
CID 88550279
ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
CID 10924671
[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 24938601
[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 44556690
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
CID 71665101
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyprop-2-enoxy)butanoate
CID 101839471
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxy-2-methylprop-2-enoxy)butanoate
CID 101839472

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate?
The IUPAC name of prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate (CID 11013912) is prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate.
What is the SMILES notation for prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate?
The canonical SMILES for prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate is C=CCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCCOC.
What is the InChIKey of prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate?
The InChIKey is ZOVOYEVMOUWNAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-8-9-21-16(18)12-15(22-14-20-11-10-19-5)13-23-24(6,7)17(2,3)4/h8,15H,1,9-14H2,2-7H3/t15-/m0/s1.
What are the key properties of prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate?
prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate has a molecular weight of 362.54 g/mol, XLogP of 3.13, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate is sourced from PubChem (CID 11013912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).