[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate

C14H30O4Si — CID 174410764

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate
SMILESCC(=O)OCCC(CC(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-11(15)10-13(8-9-17-12(2)16)18-19(6,7)14(3,4)5/h11,13,15H,8-10H2,1-7H3
InChIKeyHJAOAJSXPQPTIG-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.10
Rot. Bonds7

About [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate

[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate (PubChem CID 174410764) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate
PubChem CID174410764
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate
SMILESCC(=O)OCCC(CC(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-11(15)10-13(8-9-17-12(2)16)18-19(6,7)14(3,4)5/h11,13,15H,8-10H2,1-7H3
InChIKeyHJAOAJSXPQPTIG-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate (CID 174410764) is [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate is CC(=O)OCCC(CC(C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate?
The InChIKey is HJAOAJSXPQPTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-11(15)10-13(8-9-17-12(2)16)18-19(6,7)14(3,4)5/h11,13,15H,8-10H2,1-7H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate has a molecular weight of 290.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate is sourced from PubChem (CID 174410764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).