methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate

C16H30O4Si — CID 10979966

IUPACmethyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
SMILESCOC(=O)/C=C/C[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-16(2,3)21(5,6)20-14-10-8-12-19-13(14)9-7-11-15(17)18-4/h7,11,13-14H,8-10,12H2,1-6H3/b11-7+/t13-,14-/m1/s1
InChIKeyOBWDWDQVFDYVKG-VAZNYKRKSA-N
MW314.50 g/mol
LogP3.68
Rot. Bonds5

About methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate

methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate (PubChem CID 10979966) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
PubChem CID10979966
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namemethyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
SMILESCOC(=O)/C=C/C[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-16(2,3)21(5,6)20-14-10-8-12-19-13(14)9-7-11-15(17)18-4/h7,11,13-14H,8-10,12H2,1-6H3/b11-7+/t13-,14-/m1/s1
InChIKeyOBWDWDQVFDYVKG-VAZNYKRKSA-N
XLogP3.68
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 ≤ 53.68
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate?
The IUPAC name of methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate (CID 10979966) is methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate?
The canonical SMILES for methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate is COC(=O)/C=C/C[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate?
The InChIKey is OBWDWDQVFDYVKG-VAZNYKRKSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-16(2,3)21(5,6)20-14-10-8-12-19-13(14)9-7-11-15(17)18-4/h7,11,13-14H,8-10,12H2,1-6H3/b11-7+/t13-,14-/m1/s1.
What are the key properties of methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate?
methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate has a molecular weight of 314.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate is sourced from PubChem (CID 10979966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).