methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate

C16H30O4Si — CID 138985052

IUPACmethyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C\[C@H]1C[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O4Si/c1-12-10-13(8-9-15(17)18-5)20-14(12)11-19-21(6,7)16(2,3)4/h8-9,12-14H,10-11H2,1-7H3/b9-8-/t12-,13+,14+/m1/s1
InChIKeyWXZWHRJKTDCBAQ-DFTRNUNLSA-N
MW314.50 g/mol
LogP3.53
Rot. Bonds5

About methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate

methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate (PubChem CID 138985052) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
PubChem CID138985052
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namemethyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C\[C@H]1C[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O4Si/c1-12-10-13(8-9-15(17)18-5)20-14(12)11-19-21(6,7)16(2,3)4/h8-9,12-14H,10-11H2,1-7H3/b9-8-/t12-,13+,14+/m1/s1
InChIKeyWXZWHRJKTDCBAQ-DFTRNUNLSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
Ethyl (2e,5s,7r)-8-{[t-butyl(dimethyl)silyl]-oxy}-7-hydroxy-5-methyloct-2-enoate
CID 129758260
(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 134845125
methyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate
CID 134971261
ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
CID 58242170
[(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enyl] (2E)-hepta-2,6-dienoate
CID 58488365
propan-2-yl (Z)-7-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]oxolan-3-yl]hept-4-enoate
CID 60080953
[(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enyl] hepta-2,6-dienoate
CID 123711033
ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
CID 123931609
methyl (E,5S,6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tri(propan-2-yl)silyloxyhept-2-enoate
CID 168193760
ethyl (E,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-2-enoate
CID 173649552
(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one
CID 10599168

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate (CID 138985052) is methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate is COC(=O)/C=C\[C@H]1C[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate?
The InChIKey is WXZWHRJKTDCBAQ-DFTRNUNLSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-12-10-13(8-9-15(17)18-5)20-14(12)11-19-21(6,7)16(2,3)4/h8-9,12-14H,10-11H2,1-7H3/b9-8-/t12-,13+,14+/m1/s1.
What are the key properties of methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate?
methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate has a molecular weight of 314.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 138985052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).