1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one

C16H32O3Si — CID 11012045

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one
SMILESC=CCCCC(=O)CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-14(17)13-15(18)11-12-19-20(5,6)16(2,3)4/h7,15,18H,1,8-13H2,2-6H3
InChIKeyRDJLBLCELWJONI-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.07
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one

1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one (PubChem CID 11012045) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one
PubChem CID11012045
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one
SMILESC=CCCCC(=O)CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-14(17)13-15(18)11-12-19-20(5,6)16(2,3)4/h7,15,18H,1,8-13H2,2-6H3
InChIKeyRDJLBLCELWJONI-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,2-dimethyldec-9-en-3-one
CID 11313450
1-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one
CID 134878865
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
(5R,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-3,3,5,7-tetramethyloct-1-en-4-one
CID 10592411
(10R)-10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 10637844
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one
CID 42599910
(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one
CID 53304464
(10S)-10-Hydroxy-13-(trimethylsilyl)tridec-12-en-6-one
CID 71378023

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one (CID 11012045) is 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one is C=CCCCC(=O)CC(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one?
The InChIKey is RDJLBLCELWJONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-8-9-10-14(17)13-15(18)11-12-19-20(5,6)16(2,3)4/h7,15,18H,1,8-13H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one has a molecular weight of 300.52 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one is sourced from PubChem (CID 11012045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).