1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one

C15H20O2Si — CID 86037081

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
SMILESC#CC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H20O2Si/c1-7-14(16)12-8-10-13(11-9-12)17-18(5,6)15(2,3)4/h1,8-11H,2-6H3
InChIKeyXBCOKLZGILZIRY-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.89
Rot. Bonds3

About 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one (PubChem CID 86037081) has the molecular formula C15H20O2Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
PubChem CID86037081
Molecular FormulaC15H20O2Si
Molecular Weight260.41 g/mol
Exact Mass260.12
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
SMILESC#CC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H20O2Si/c1-7-14(16)12-8-10-13(11-9-12)17-18(5,6)15(2,3)4/h1,8-11H,2-6H3
InChIKeyXBCOKLZGILZIRY-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
CID 146163201
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67570149
(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
CID 132820359
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
CID 139670556
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
CID 10801667

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one (CID 86037081) is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one is C#CC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one?
The InChIKey is XBCOKLZGILZIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2Si/c1-7-14(16)12-8-10-13(11-9-12)17-18(5,6)15(2,3)4/h1,8-11H,2-6H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one?
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one has a molecular weight of 260.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one is sourced from PubChem (CID 86037081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).