methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate

C19H38O4Si — CID 14986674

IUPACmethyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate
SMILESCOC(=O)C(C)(C)CC(CC=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(7,8)23-14-10-9-11-16(12-13-20)15-19(4,5)17(21)22-6/h13,16H,9-12,14-15H2,1-8H3
InChIKeyUYBNHSRYLDBQIQ-UHFFFAOYSA-N
MW358.60 g/mol
LogP4.97
Rot. Bonds11

About methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate

methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate (PubChem CID 14986674) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate.

Molecular Properties

Compound Namemethyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate
PubChem CID14986674
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Namemethyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate
SMILESCOC(=O)C(C)(C)CC(CC=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(7,8)23-14-10-9-11-16(12-13-20)15-19(4,5)17(21)22-6/h13,16H,9-12,14-15H2,1-8H3
InChIKeyUYBNHSRYLDBQIQ-UHFFFAOYSA-N
XLogP4.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate?
The IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate (CID 14986674) is methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate.
What is the SMILES notation for methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate?
The canonical SMILES for methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate is COC(=O)C(C)(C)CC(CC=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate?
The InChIKey is UYBNHSRYLDBQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-18(2,3)24(7,8)23-14-10-9-11-16(12-13-20)15-19(4,5)17(21)22-6/h13,16H,9-12,14-15H2,1-8H3.
What are the key properties of methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate?
methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate has a molecular weight of 358.60 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-oxoethyl)octanoate is sourced from PubChem (CID 14986674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).