(5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one

C30H32O2Si — CID 59103632

IUPAC(5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one
SMILESCc1ccc(/C=C2\C(=O)C=CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c1
InChIInChI=1S/C30H32O2Si/c1-22-16-17-24(23(2)20-22)21-27-28(31)18-19-29(27)32-33(30(3,4)5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-21,29H,1-5H3/b27-21+
InChIKeyRFBITLRYTNPILF-SZXQPVLSSA-N
MW452.67 g/mol
LogP5.77
Rot. Bonds5

About (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one

(5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one (PubChem CID 59103632) has the molecular formula C30H32O2Si and a molecular weight of 452.67 g/mol. Its IUPAC name is (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one
PubChem CID59103632
Molecular FormulaC30H32O2Si
Molecular Weight452.67 g/mol
Exact Mass452.22
IUPAC Name(5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one
SMILESCc1ccc(/C=C2\C(=O)C=CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c1
InChIInChI=1S/C30H32O2Si/c1-22-16-17-24(23(2)20-22)21-27-28(31)18-19-29(27)32-33(30(3,4)5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-21,29H,1-5H3/b27-21+
InChIKeyRFBITLRYTNPILF-SZXQPVLSSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 55.77
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 (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one?
The IUPAC name of (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one (CID 59103632) is (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one?
The canonical SMILES for (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one is Cc1ccc(/C=C2\C(=O)C=CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c1.
What is the InChIKey of (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one?
The InChIKey is RFBITLRYTNPILF-SZXQPVLSSA-N. The full InChI is InChI=1S/C30H32O2Si/c1-22-16-17-24(23(2)20-22)21-27-28(31)18-19-29(27)32-33(30(3,4)5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-21,29H,1-5H3/b27-21+.
What are the key properties of (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one?
(5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one has a molecular weight of 452.67 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2,4-dimethylphenyl)methylidene]cyclopent-2-en-1-one is sourced from PubChem (CID 59103632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).