8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one

C15H30O3Si — CID 101434585

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one
SMILESC=C(CCC(C)=O)C(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(8-9-13(2)16)14(17)10-11-18-19(6,7)15(3,4)5/h14,17H,1,8-11H2,2-7H3
InChIKeyNVQHYAYQZYTAJB-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.68
Rot. Bonds8

About 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one

8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one (PubChem CID 101434585) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one
PubChem CID101434585
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one
SMILESC=C(CCC(C)=O)C(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(8-9-13(2)16)14(17)10-11-18-19(6,7)15(3,4)5/h14,17H,1,8-11H2,2-7H3
InChIKeyNVQHYAYQZYTAJB-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 134904240
(4R,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 134904560
(10R)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-6-one
CID 134942392
6-Hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
3-[Ethyl(dimethyl)silyl]oxy-2-(hydroxymethyl)dec-1-ene-1,9-dione
CID 140333758
(4R,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 10914455
(4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 11088766
(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 11172556
(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one
CID 11482622
(6R)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 44156554
6-Hydroxy-8-[(trimethylsilyl)methyl]deca-8,9-dien-2-one
CID 71415722
(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one
CID 102024370

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one (CID 101434585) is 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one is C=C(CCC(C)=O)C(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one?
The InChIKey is NVQHYAYQZYTAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(8-9-13(2)16)14(17)10-11-18-19(6,7)15(3,4)5/h14,17H,1,8-11H2,2-7H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one?
8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one has a molecular weight of 286.49 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one is sourced from PubChem (CID 101434585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).