4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate

C12H24O3Si — CID 154478737

IUPAC4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
SMILESCC(=O)OC(C)C=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h8-10H,1-7H3
InChIKeyPXBABZVGIOQGLV-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.47
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate

4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate (PubChem CID 154478737) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
PubChem CID154478737
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
SMILESCC(=O)OC(C)C=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h8-10H,1-7H3
InChIKeyPXBABZVGIOQGLV-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(E)-3,4,4-trimethylpent-1-enoxy]silane
CID 101149922
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
CID 102348097
(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
CID 11101162
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylethenamine
CID 59793232
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
[(E)-6-methylhept-3-en-2-yl] acetate
CID 135085622
[(E,2R)-4-cyanobut-3-en-2-yl] acetate
CID 11412427
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
[(E)-3,3-bis(tributylstannyl)prop-1-enoxy]-tert-butyl-dimethylsilane
CID 11018105
[(2R)-but-3-en-2-yl] acetate
CID 11378468

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate (CID 154478737) is 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate is CC(=O)OC(C)C=CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate?
The InChIKey is PXBABZVGIOQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h8-10H,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate?
4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate has a molecular weight of 244.41 g/mol, XLogP of 3.47, 4 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]oxybut-3-en-2-yl acetate is sourced from PubChem (CID 154478737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).