methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

C19H42O4Si2 — CID 156726762

IUPACmethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCOC(=O)CCC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-16(12-13-17(20)21-8)14-22-25(11,19(5,6)7)15-23-24(9,10)18(2,3)4/h16H,12-15H2,1-11H3
InChIKeyKGRZVJXNLBRSRX-UHFFFAOYSA-N
MW390.71 g/mol
LogP5.53
Rot. Bonds9

About methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (PubChem CID 156726762) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
PubChem CID156726762
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Namemethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCOC(=O)CCC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-16(12-13-17(20)21-8)14-22-25(11,19(5,6)7)15-23-24(9,10)18(2,3)4/h16H,12-15H2,1-11H3
InChIKeyKGRZVJXNLBRSRX-UHFFFAOYSA-N
XLogP5.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The IUPAC name of methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (CID 156726762) is methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.
What is the SMILES notation for methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The canonical SMILES for methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is COC(=O)CCC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The InChIKey is KGRZVJXNLBRSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-16(12-13-17(20)21-8)14-22-25(11,19(5,6)7)15-23-24(9,10)18(2,3)4/h16H,12-15H2,1-11H3.
What are the key properties of methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate has a molecular weight of 390.71 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is sourced from PubChem (CID 156726762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).