8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one

C20H40O5Si — CID 10872807

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one
SMILESCOC1(CC(O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)CCCCO1
InChIInChI=1S/C20H40O5Si/c1-19(2,3)26(5,6)25-14-9-7-11-17(21)15-18(22)16-20(23-4)12-8-10-13-24-20/h18,22H,7-16H2,1-6H3
InChIKeyNMTNGLUOPWVQKO-UHFFFAOYSA-N
MW388.62 g/mol
LogP4.43
Rot. Bonds11

About 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one

8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one (PubChem CID 10872807) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one
PubChem CID10872807
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one
SMILESCOC1(CC(O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)CCCCO1
InChIInChI=1S/C20H40O5Si/c1-19(2,3)26(5,6)25-14-9-7-11-17(21)15-18(22)16-20(23-4)12-8-10-13-24-20/h18,22H,7-16H2,1-6H3
InChIKeyNMTNGLUOPWVQKO-UHFFFAOYSA-N
XLogP4.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one (CID 10872807) is 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one is COC1(CC(O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)CCCCO1.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one?
The InChIKey is NMTNGLUOPWVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-19(2,3)26(5,6)25-14-9-7-11-17(21)15-18(22)16-20(23-4)12-8-10-13-24-20/h18,22H,7-16H2,1-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one?
8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one has a molecular weight of 388.62 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one is sourced from PubChem (CID 10872807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).