4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate

C12H26O3Si — CID 75181679

IUPAC4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate
SMILESCC(=O)OC(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyYMLDZNYYQAVKCL-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate

4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate (PubChem CID 75181679) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate
PubChem CID75181679
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate
SMILESCC(=O)OC(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyYMLDZNYYQAVKCL-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
4-(Trimethyl-silyl)butyl acetate
CID 13549953
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Butyl 2-(trimethylsilyl)acetate
CID 15651272
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 46236584
(3-Acetoxybutyl)trimethoxysilane
CID 102461818
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoate
CID 140438619
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
Ethyl 2-[tert-butyl(dimethyl)silyl]acetate
CID 13501733
[(2R,3S)-3-bromo-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254786
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-2-ynoate
CID 44466271

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate (CID 75181679) is 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate is CC(=O)OC(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate?
The InChIKey is YMLDZNYYQAVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate?
4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate is sourced from PubChem (CID 75181679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).