2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone

C22H32O2Si — CID 132594355

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H32O2Si/c1-7-11-18-14-15-19(16-20(23)17-12-9-8-10-13-17)21(18)24-25(5,6)22(2,3)4/h7-10,12-13,19H,1,11,14-16H2,2-6H3
InChIKeyWZTCVZANWVUGCM-UHFFFAOYSA-N
MW356.58 g/mol
LogP6.52
Rot. Bonds7

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone

2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone (PubChem CID 132594355) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone
PubChem CID132594355
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H32O2Si/c1-7-11-18-14-15-19(16-20(23)17-12-9-8-10-13-17)21(18)24-25(5,6)22(2,3)4/h7-10,12-13,19H,1,11,14-16H2,2-6H3
InChIKeyWZTCVZANWVUGCM-UHFFFAOYSA-N
XLogP6.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 56.52
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'}

Analyze 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone 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

2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167714702
tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
CID 72543849
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
CID 123160452
CID 158889670
CID 158889670
methyl 6-methyl-4-phenacyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 132991500
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
3,3-dimethyl-1-phenylpent-4-en-1-one
CID 14397690
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
tert-butyl-(3-ethenyl-2-methylcyclopenten-1-yl)oxy-dimethylsilane
CID 101362694
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
CID 168819463
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate
CID 132570844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone (CID 132594355) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone is C=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone?
The InChIKey is WZTCVZANWVUGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-7-11-18-14-15-19(16-20(23)17-12-9-8-10-13-17)21(18)24-25(5,6)22(2,3)4/h7-10,12-13,19H,1,11,14-16H2,2-6H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone?
2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone has a molecular weight of 356.58 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone is sourced from PubChem (CID 132594355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).