methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate

C19H40O4Si — CID 14986673

IUPACmethyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate
SMILESCOC(=O)C(C)(C)CC(CCO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-18(2,3)24(7,8)23-14-10-9-11-16(12-13-20)15-19(4,5)17(21)22-6/h16,20H,9-15H2,1-8H3
InChIKeyOWWULHWEGWYIDL-UHFFFAOYSA-N
MW360.61 g/mol
LogP4.77
Rot. Bonds11

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

methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate (PubChem CID 14986673) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate.

Molecular Properties

Compound Namemethyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate
PubChem CID14986673
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Namemethyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate
SMILESCOC(=O)C(C)(C)CC(CCO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-18(2,3)24(7,8)23-14-10-9-11-16(12-13-20)15-19(4,5)17(21)22-6/h16,20H,9-15H2,1-8H3
InChIKeyOWWULHWEGWYIDL-UHFFFAOYSA-N
XLogP4.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-4-(2-hydroxyethyl)-2,2-dimethyloctanoate?
The IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate (CID 14986673) is methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate.
What is the SMILES notation for methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate?
The canonical SMILES for methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate is COC(=O)C(C)(C)CC(CCO)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate?
The InChIKey is OWWULHWEGWYIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4Si/c1-18(2,3)24(7,8)23-14-10-9-11-16(12-13-20)15-19(4,5)17(21)22-6/h16,20H,9-15H2,1-8H3.
What are the key properties of methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate?
methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate has a molecular weight of 360.61 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethyl)-2,2-dimethyloctanoate is sourced from PubChem (CID 14986673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).