6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione

C18H24O3Si — CID 135028614

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
SMILESCC(C)(C)[Si](C)(C)OCCC#CC(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H24O3Si/c1-18(2,3)22(4,5)21-14-10-9-13-16(19)17(20)15-11-7-6-8-12-15/h6-8,11-12H,10,14H2,1-5H3
InChIKeyRYNVXQGVTODQJT-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.85
Rot. Bonds5

About 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione

6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione (PubChem CID 135028614) has the molecular formula C18H24O3Si and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
PubChem CID135028614
Molecular FormulaC18H24O3Si
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
SMILESCC(C)(C)[Si](C)(C)OCCC#CC(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H24O3Si/c1-18(2,3)22(4,5)21-14-10-9-13-16(19)17(20)15-11-7-6-8-12-15/h6-8,11-12H,10,14H2,1-5H3
InChIKeyRYNVXQGVTODQJT-UHFFFAOYSA-N
XLogP3.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione with MolForge

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Related Compounds

1-phenyl-6-prop-2-ynoxyhex-3-yne-1,2-dione
CID 135043318
CID 21344899
CID 21344899
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
CID 53355261
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-one
CID 24795140
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(2-trimethylsilylethynyl)pent-2-enoate
CID 11502885
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
methyl 4-[C-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]-N-cyclohexylcarbonimidoyl]benzoate
CID 56593008
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione (CID 135028614) is 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione is CC(C)(C)[Si](C)(C)OCCC#CC(=O)C(=O)c1ccccc1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione?
The InChIKey is RYNVXQGVTODQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3Si/c1-18(2,3)22(4,5)21-14-10-9-13-16(19)17(20)15-11-7-6-8-12-15/h6-8,11-12H,10,14H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione?
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione has a molecular weight of 316.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione is sourced from PubChem (CID 135028614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).