4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate

C14H28O3Si — CID 138974747

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-12(9-8-10-16-13(2)15)11-17-18(6,7)14(3,4)5/h1,8-11H2,2-7H3
InChIKeyAWMXRQBXTWSKJO-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate

4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate (PubChem CID 138974747) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate
PubChem CID138974747
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-12(9-8-10-16-13(2)15)11-17-18(6,7)14(3,4)5/h1,8-11H2,2-7H3
InChIKeyAWMXRQBXTWSKJO-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
4-(2,2,5,5-Tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
CID 53483590
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
[6-[Tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate
CID 164673289

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate (CID 138974747) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate is C=C(CCCOC(C)=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate?
The InChIKey is AWMXRQBXTWSKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-12(9-8-10-16-13(2)15)11-17-18(6,7)14(3,4)5/h1,8-11H2,2-7H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 7 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]oxymethyl]pent-4-enyl acetate is sourced from PubChem (CID 138974747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).