4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one

C14H24O2Si — CID 14189022

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C14H24O2Si/c1-7-8-11-9-12(10-13(11)15)16-17(5,6)14(2,3)4/h7,9,12H,1,8,10H2,2-6H3
InChIKeyPBMVKTMQXGLJNA-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.85
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 14189022) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID14189022
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C14H24O2Si/c1-7-8-11-9-12(10-13(11)15)16-17(5,6)14(2,3)4/h7,9,12H,1,8,10H2,2-6H3
InChIKeyPBMVKTMQXGLJNA-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]oxy-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one (CID 14189022) is 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is PBMVKTMQXGLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-7-8-11-9-12(10-13(11)15)16-17(5,6)14(2,3)4/h7,9,12H,1,8,10H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 14189022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).