1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one

C16H24O2Si — CID 15416419

IUPAC1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-12(14(17)13-10-8-7-9-11-13)15(18)19(5,6)16(2,3)4/h7-11,14,17H,1H2,2-6H3
InChIKeyDXHUZDOSIWZBOL-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.89
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one

1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one (PubChem CID 15416419) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one
PubChem CID15416419
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-12(14(17)13-10-8-7-9-11-13)15(18)19(5,6)16(2,3)4/h7-11,14,17H,1H2,2-6H3
InChIKeyDXHUZDOSIWZBOL-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one (CID 15416419) is 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one is C=C(C(=O)[Si](C)(C)C(C)(C)C)C(O)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one?
The InChIKey is DXHUZDOSIWZBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-12(14(17)13-10-8-7-9-11-13)15(18)19(5,6)16(2,3)4/h7-11,14,17H,1H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one?
1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one has a molecular weight of 276.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2-[hydroxy(phenyl)methyl]prop-2-en-1-one is sourced from PubChem (CID 15416419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).