tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate

C19H36O5Si — CID 68768920

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate
SMILESCC(C)(C)OC(=O)CC(CC1CCCC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-18(2,3)23-17(21)13-15(24-25(7,8)19(4,5)6)12-14-10-9-11-16(20)22-14/h14-15H,9-13H2,1-8H3
InChIKeyALZAJVKQLJSILK-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.59
Rot. Bonds6

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate (PubChem CID 68768920) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate
PubChem CID68768920
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate
SMILESCC(C)(C)OC(=O)CC(CC1CCCC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-18(2,3)23-17(21)13-15(24-25(7,8)19(4,5)6)12-14-10-9-11-16(20)22-14/h14-15H,9-13H2,1-8H3
InChIKeyALZAJVKQLJSILK-UHFFFAOYSA-N
XLogP4.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.59
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 tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate (CID 68768920) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate is CC(C)(C)OC(=O)CC(CC1CCCC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate?
The InChIKey is ALZAJVKQLJSILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-18(2,3)23-17(21)13-15(24-25(7,8)19(4,5)6)12-14-10-9-11-16(20)22-14/h14-15H,9-13H2,1-8H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate has a molecular weight of 372.58 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate is sourced from PubChem (CID 68768920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).