3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate

C14H30O3Si — CID 90296295

IUPAC3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate
SMILESCCCC(CCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-9-13(10-11-16-12(2)15)17-18(6,7)14(3,4)5/h13H,8-11H2,1-7H3
InChIKeyRFUVXMBHIVQMNW-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.13
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate

3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate (PubChem CID 90296295) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate
PubChem CID90296295
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate
SMILESCCCC(CCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-9-13(10-11-16-12(2)15)17-18(6,7)14(3,4)5/h13H,8-11H2,1-7H3
InChIKeyRFUVXMBHIVQMNW-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate (CID 90296295) is 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate is CCCC(CCOC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate?
The InChIKey is RFUVXMBHIVQMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-9-13(10-11-16-12(2)15)17-18(6,7)14(3,4)5/h13H,8-11H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate?
3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate has a molecular weight of 274.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxyhexyl acetate is sourced from PubChem (CID 90296295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).