5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one

C15H32O3Si — CID 18318824

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one
SMILESCCC(=O)C(C)(C)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-9-12(17)15(5,6)13(10-11-16)18-19(7,8)14(2,3)4/h13,16H,9-11H2,1-8H3
InChIKeyMJXPGHJBTOTXLV-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.76
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one

5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one (PubChem CID 18318824) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one
PubChem CID18318824
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one
SMILESCCC(=O)C(C)(C)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-9-12(17)15(5,6)13(10-11-16)18-19(7,8)14(2,3)4/h13,16H,9-11H2,1-8H3
InChIKeyMJXPGHJBTOTXLV-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one (CID 18318824) is 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one is CCC(=O)C(C)(C)C(CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one?
The InChIKey is MJXPGHJBTOTXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-12(17)15(5,6)13(10-11-16)18-19(7,8)14(2,3)4/h13,16H,9-11H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one?
5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one has a molecular weight of 288.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,4-dimethylheptan-3-one is sourced from PubChem (CID 18318824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).