methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate

C16H32O5Si — CID 10980509

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate
SMILESCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C16H32O5Si/c1-16(2,3)22(5,6)20-12-13(11-14(17)18-4)21-15-9-7-8-10-19-15/h13,15H,7-12H2,1-6H3
InChIKeyNJRXKKLRPARXKB-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.48
Rot. Bonds7

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate (PubChem CID 10980509) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate
PubChem CID10980509
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate
SMILESCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C16H32O5Si/c1-16(2,3)22(5,6)20-12-13(11-14(17)18-4)21-15-9-7-8-10-19-15/h13,15H,7-12H2,1-6H3
InChIKeyNJRXKKLRPARXKB-UHFFFAOYSA-N
XLogP3.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate (CID 10980509) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate is COC(=O)CC(CO[Si](C)(C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate?
The InChIKey is NJRXKKLRPARXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-16(2,3)22(5,6)20-12-13(11-14(17)18-4)21-15-9-7-8-10-19-15/h13,15H,7-12H2,1-6H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate has a molecular weight of 332.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)butanoate is sourced from PubChem (CID 10980509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).