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'}

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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).