methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate

C26H51NO6Si2 — CID 135031071

IUPACmethyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CCC(C)C[C@H](OC)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C26H51NO6Si2/c1-19(14-15-23-27-20(17-31-23)24(28)30-9)16-21(29-8)22(33-35(12,13)26(5,6)7)18-32-34(10,11)25(2,3)4/h17,19,21-22H,14-16,18H2,1-13H3/t19?,21-,22-/m0/s1
InChIKeyOMIYFRPYOVVELP-GFUWAVFVSA-N
MW529.87 g/mol
LogP6.85
Rot. Bonds13

About methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate

methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate (PubChem CID 135031071) has the molecular formula C26H51NO6Si2 and a molecular weight of 529.87 g/mol. Its IUPAC name is methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate
PubChem CID135031071
Molecular FormulaC26H51NO6Si2
Molecular Weight529.87 g/mol
Exact Mass529.33
IUPAC Namemethyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CCC(C)C[C@H](OC)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C26H51NO6Si2/c1-19(14-15-23-27-20(17-31-23)24(28)30-9)16-21(29-8)22(33-35(12,13)26(5,6)7)18-32-34(10,11)25(2,3)4/h17,19,21-22H,14-16,18H2,1-13H3/t19?,21-,22-/m0/s1
InChIKeyOMIYFRPYOVVELP-GFUWAVFVSA-N
XLogP6.85
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.87
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate (CID 135031071) is methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CCC(C)C[C@H](OC)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate?
The InChIKey is OMIYFRPYOVVELP-GFUWAVFVSA-N. The full InChI is InChI=1S/C26H51NO6Si2/c1-19(14-15-23-27-20(17-31-23)24(28)30-9)16-21(29-8)22(33-35(12,13)26(5,6)7)18-32-34(10,11)25(2,3)4/h17,19,21-22H,14-16,18H2,1-13H3/t19?,21-,22-/m0/s1.
What are the key properties of methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate has a molecular weight of 529.87 g/mol, XLogP of 6.85, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-3-methylheptyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 135031071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).