[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate

C15H30O4Si — CID 10990313

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate
SMILESCC(=O)OCC(CCCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-13(17)18-11-14(9-7-8-10-16)12-19-20(5,6)15(2,3)4/h10,14H,7-9,11-12H2,1-6H3
InChIKeyPCTKOVIGIXOPMR-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.56
Rot. Bonds9

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate (PubChem CID 10990313) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate
PubChem CID10990313
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate
SMILESCC(=O)OCC(CCCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-13(17)18-11-14(9-7-8-10-16)12-19-20(5,6)15(2,3)4/h10,14H,7-9,11-12H2,1-6H3
InChIKeyPCTKOVIGIXOPMR-UHFFFAOYSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate
CID 56926514
1-O-ethyl 3-O-propyl 2-(4-trimethylsilyloxybutyl)propanedioate
CID 18335953
[Tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate
CID 18964710
[Tert-butyl(dimethyl)silyl] 6-oxohexanoate
CID 23182666
3-[4-[[Dimethyl(propan-2-yl)silyl]oxy-dimethylsilyl]butanoyloxy]propyl 5-methylhexanoate
CID 57981655
ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 87631785
[Diethoxy(methyl)silyl] 2-methylhexanoate
CID 90717807
Diethyl 2-(4-trimethoxysilylbutyl)propanedioate
CID 139605977
Diethyl 2-(3-trimethoxysilylbutyl)propanedioate
CID 139605979
Methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate
CID 174418115

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate (CID 10990313) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate is CC(=O)OCC(CCCC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate?
The InChIKey is PCTKOVIGIXOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-13(17)18-11-14(9-7-8-10-16)12-19-20(5,6)15(2,3)4/h10,14H,7-9,11-12H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate has a molecular weight of 302.49 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate is sourced from PubChem (CID 10990313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).