4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one

C18H26O2Si — CID 173241214

IUPAC4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one
SMILESC[SiH](C)OC=C1C=CC=CC1C1C(=O)C=CC1C(C)(C)C
InChIInChI=1S/C18H26O2Si/c1-18(2,3)15-10-11-16(19)17(15)14-9-7-6-8-13(14)12-20-21(4)5/h6-12,14-15,17,21H,1-5H3
InChIKeyCYTXRMNTSBFLNG-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.03
Rot. Bonds3

About 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one

4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one (PubChem CID 173241214) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one
PubChem CID173241214
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one
SMILESC[SiH](C)OC=C1C=CC=CC1C1C(=O)C=CC1C(C)(C)C
InChIInChI=1S/C18H26O2Si/c1-18(2,3)15-10-11-16(19)17(15)14-9-7-6-8-13(14)12-20-21(4)5/h6-12,14-15,17,21H,1-5H3
InChIKeyCYTXRMNTSBFLNG-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one (CID 173241214) is 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one is C[SiH](C)OC=C1C=CC=CC1C1C(=O)C=CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
The InChIKey is CYTXRMNTSBFLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-18(2,3)15-10-11-16(19)17(15)14-9-7-6-8-13(14)12-20-21(4)5/h6-12,14-15,17,21H,1-5H3.
What are the key properties of 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one has a molecular weight of 302.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 173241214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).