(5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

C18H24O2Si — CID 59103635

IUPAC(5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)/C1=C/c1ccccc1
InChIInChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-17-12-11-16(19)15(17)13-14-9-7-6-8-10-14/h6-13,17H,1-5H3/b15-13-
InChIKeyWLKVMACCXKPTAB-SQFISAMPSA-N
MW300.47 g/mol
LogP4.60
Rot. Bonds3

About (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

(5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 59103635) has the molecular formula C18H24O2Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID59103635
Molecular FormulaC18H24O2Si
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)/C1=C/c1ccccc1
InChIInChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-17-12-11-16(19)15(17)13-14-9-7-6-8-10-14/h6-13,17H,1-5H3/b15-13-
InChIKeyWLKVMACCXKPTAB-SQFISAMPSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 59103635) is (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1C=CC(=O)/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is WLKVMACCXKPTAB-SQFISAMPSA-N. The full InChI is InChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-17-12-11-16(19)15(17)13-14-9-7-6-8-10-14/h6-13,17H,1-5H3/b15-13-.
What are the key properties of (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
(5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 300.47 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 59103635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).