2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one

C22H28OSi — CID 14451174

IUPAC2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one
SMILESCC(C)(C)C(=C=O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28OSi/c1-21(2,3)20(17-23)24(22(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,1-6H3
InChIKeyBVBLNPDLVGEXHV-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.39
Rot. Bonds3

About 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one

2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one (PubChem CID 14451174) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one
PubChem CID14451174
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Name2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one
SMILESCC(C)(C)C(=C=O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28OSi/c1-21(2,3)20(17-23)24(22(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,1-6H3
InChIKeyBVBLNPDLVGEXHV-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenyldimethoxysilane
CID 81284
1,3-Diphenyltetramethyldisiloxane
CID 5945
Diphenyldiallylsilane
CID 82695
Diphenyldiethoxysilane
CID 75705
tert-Butyldiphenylchlorosilane
CID 94078
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Ethoxymethyldiphenylsilane
CID 74576
Methoxytriphenylsilane
CID 74588
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
Silanediol, 1,1-diphenyl-, 1,1-diacetate
CID 75718
Benzene, 1,1'-(diethylsilylene)bis-
CID 87379

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one (CID 14451174) is 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one is CC(C)(C)C(=C=O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one?
The InChIKey is BVBLNPDLVGEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28OSi/c1-21(2,3)20(17-23)24(22(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,1-6H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one?
2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one has a molecular weight of 336.55 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one is sourced from PubChem (CID 14451174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).