[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate

C14H28O3Si — CID 11054827

IUPAC[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
SMILESCC(=O)OC(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-12(15)17-14(5,6)10-9-11-16-18(7,8)13(2,3)4/h9-10H,11H2,1-8H3/b10-9+
InChIKeyAOMVRLUNGVQVEG-MDZDMXLPSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds5

About [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate

[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate (PubChem CID 11054827) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
PubChem CID11054827
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
SMILESCC(=O)OC(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-12(15)17-14(5,6)10-9-11-16-18(7,8)13(2,3)4/h9-10H,11H2,1-8H3/b10-9+
InChIKeyAOMVRLUNGVQVEG-MDZDMXLPSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
[(3E)-2-methyl-6-methylideneocta-3,7-dien-2-yl] acetate
CID 12783294
[(E)-2-methylpent-3-en-2-yl] acetate
CID 177097453
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
CID 124629180
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098
(4-bromo-2-methylbut-3-en-2-yl) acetate
CID 173442263

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate?
The IUPAC name of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate (CID 11054827) is [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate?
The canonical SMILES for [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate is CC(=O)OC(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate?
The InChIKey is AOMVRLUNGVQVEG-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-12(15)17-14(5,6)10-9-11-16-18(7,8)13(2,3)4/h9-10H,11H2,1-8H3/b10-9+.
What are the key properties of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate?
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate is sourced from PubChem (CID 11054827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).