methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate

C18H34O5Si — CID 10570411

IUPACmethyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
SMILESCOC(=O)CC/C=C/[C@@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-17(2,3)24(7,8)21-13-15-14(22-18(4,5)23-15)11-9-10-12-16(19)20-6/h9,11,14-15H,10,12-13H2,1-8H3/b11-9+/t14-,15+/m0/s1
InChIKeyZMCWIQQEVGRQLR-XXQUSICCSA-N
MW358.55 g/mol
LogP4.04
Rot. Bonds7

About methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate

methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate (PubChem CID 10570411) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
PubChem CID10570411
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Namemethyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
SMILESCOC(=O)CC/C=C/[C@@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-17(2,3)24(7,8)21-13-15-14(22-18(4,5)23-15)11-9-10-12-16(19)20-6/h9,11,14-15H,10,12-13H2,1-8H3/b11-9+/t14-,15+/m0/s1
InChIKeyZMCWIQQEVGRQLR-XXQUSICCSA-N
XLogP4.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10834056
(1S,6Z,8R,10S,12Z)-10-[tri(propan-2-yl)silyloxymethyl]-2,9-dioxabicyclo[6.6.0]tetradeca-6,12-dien-3-one
CID 11112024
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
CID 102273506
ethyl (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-enoate
CID 134842529
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882732
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882842
[tert-butyl(dimethyl)silyl] 2-[(3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882930

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate?
The IUPAC name of methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate (CID 10570411) is methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate.
What is the SMILES notation for methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate?
The canonical SMILES for methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate is COC(=O)CC/C=C/[C@@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate?
The InChIKey is ZMCWIQQEVGRQLR-XXQUSICCSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-17(2,3)24(7,8)21-13-15-14(22-18(4,5)23-15)11-9-10-12-16(19)20-6/h9,11,14-15H,10,12-13H2,1-8H3/b11-9+/t14-,15+/m0/s1.
What are the key properties of methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate?
methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate has a molecular weight of 358.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate is sourced from PubChem (CID 10570411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).