2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate

C15H28O3Si — CID 75587412

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
SMILESCC(=O)OCCC1C=CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(16)17-11-10-13-8-7-9-14(13)18-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3
InChIKeyRQMVOJDKFBWDQK-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds5

About 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate

2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate (PubChem CID 75587412) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
PubChem CID75587412
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
SMILESCC(=O)OCCC1C=CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(16)17-11-10-13-8-7-9-14(13)18-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3
InChIKeyRQMVOJDKFBWDQK-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate (CID 75587412) is 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate is CC(=O)OCCC1C=CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate?
The InChIKey is RQMVOJDKFBWDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(16)17-11-10-13-8-7-9-14(13)18-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate?
2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate has a molecular weight of 284.47 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 2-[5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate is sourced from PubChem (CID 75587412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).