[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate

C14H26O3Si — CID 15674821

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)OC1C=CC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-11(15)17-13-8-7-12(9-13)10-16-18(5,6)14(2,3)4/h7-8,12-13H,9-10H2,1-6H3
InChIKeyXEFUFHRBDWXXEL-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds4

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate (PubChem CID 15674821) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
PubChem CID15674821
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)OC1C=CC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-11(15)17-13-8-7-12(9-13)10-16-18(5,6)14(2,3)4/h7-8,12-13H,9-10H2,1-6H3
InChIKeyXEFUFHRBDWXXEL-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate (CID 15674821) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate is CC(=O)OC1C=CC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The InChIKey is XEFUFHRBDWXXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-11(15)17-13-8-7-12(9-13)10-16-18(5,6)14(2,3)4/h7-8,12-13H,9-10H2,1-6H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate has a molecular weight of 270.44 g/mol, XLogP of 3.52, 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]oxymethyl]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 15674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).