methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate

C14H28O4Si — CID 10356788

IUPACmethyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate
SMILESC=C[C@@H](OC)[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-9-11(16-5)12(10-13(15)17-6)18-19(7,8)14(2,3)4/h9,11-12H,1,10H2,2-8H3/t11-,12-/m1/s1
InChIKeyCLWJSRNQMGZCCT-VXGBXAGGSA-N
MW288.46 g/mol
LogP3.14
Rot. Bonds7

About methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate

methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate (PubChem CID 10356788) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate.

Molecular Properties

Compound Namemethyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate
PubChem CID10356788
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate
SMILESC=C[C@@H](OC)[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-9-11(16-5)12(10-13(15)17-6)18-19(7,8)14(2,3)4/h9,11-12H,1,10H2,2-8H3/t11-,12-/m1/s1
InChIKeyCLWJSRNQMGZCCT-VXGBXAGGSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
ethyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroperoxy-2-methylidenepentanoate
CID 10852070
ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
CID 10924671
[(2R,4S,5E,7S,8S)-7-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-10-oxo-2,3,4,7,8,9-hexahydrooxecin-8-yl] acetate
CID 11154218
methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate
CID 11186560
Dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate
CID 15522237

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate?
The IUPAC name of methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate (CID 10356788) is methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate.
What is the SMILES notation for methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate?
The canonical SMILES for methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate is C=C[C@@H](OC)[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate?
The InChIKey is CLWJSRNQMGZCCT-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-9-11(16-5)12(10-13(15)17-6)18-19(7,8)14(2,3)4/h9,11-12H,1,10H2,2-8H3/t11-,12-/m1/s1.
What are the key properties of methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate?
methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate has a molecular weight of 288.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate is sourced from PubChem (CID 10356788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).