1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone

C18H26O2Si — CID 159159611

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone
SMILESCC#Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C(C)=O
InChIInChI=1S/C18H26O2Si/c1-9-10-15-12-16(11-13(2)17(15)14(3)19)20-21(7,8)18(4,5)6/h11-12H,1-8H3
InChIKeyUVXTUFCTKBSNHO-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.95
Rot. Bonds3

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone

1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone (PubChem CID 159159611) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone
PubChem CID159159611
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone
SMILESCC#Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C(C)=O
InChIInChI=1S/C18H26O2Si/c1-9-10-15-12-16(11-13(2)17(15)14(3)19)20-21(7,8)18(4,5)6/h11-12H,1-8H3
InChIKeyUVXTUFCTKBSNHO-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone (CID 159159611) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone is CC#Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C(C)=O.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone?
The InChIKey is UVXTUFCTKBSNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-9-10-15-12-16(11-13(2)17(15)14(3)19)20-21(7,8)18(4,5)6/h11-12H,1-8H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone?
1-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone has a molecular weight of 302.49 g/mol, XLogP of 4.95, 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]oxy-2-methyl-6-prop-1-ynylphenyl]ethanone is sourced from PubChem (CID 159159611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).