4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one

C22H26O2Si — CID 25258073

IUPAC4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](OC1C=CC(=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-14,16,19H,15,17H2,1-3H3
InChIKeySTXYXWZVXLAYIG-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.85
Rot. Bonds4

About 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one

4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one (PubChem CID 25258073) has the molecular formula C22H26O2Si and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one
PubChem CID25258073
Molecular FormulaC22H26O2Si
Molecular Weight350.53 g/mol
Exact Mass350.17
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](OC1C=CC(=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-14,16,19H,15,17H2,1-3H3
InChIKeySTXYXWZVXLAYIG-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one (CID 25258073) is 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one is CC(C)(C)[Si](OC1C=CC(=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one?
The InChIKey is STXYXWZVXLAYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-14,16,19H,15,17H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one?
4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one has a molecular weight of 350.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one is sourced from PubChem (CID 25258073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).