4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one

C16H28OSi — CID 75040801

IUPAC4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)C(CC#C[Si](C)(C)C)C1
InChIInChI=1S/C16H28OSi/c1-16(2,3)14-9-10-15(17)13(12-14)8-7-11-18(4,5)6/h13-14H,8-10,12H2,1-6H3
InChIKeyRUPMVQBINNZFTJ-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.29
Rot. Bonds1

About 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one

4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one (PubChem CID 75040801) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
PubChem CID75040801
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)C(CC#C[Si](C)(C)C)C1
InChIInChI=1S/C16H28OSi/c1-16(2,3)14-9-10-15(17)13(12-14)8-7-11-18(4,5)6/h13-14H,8-10,12H2,1-6H3
InChIKeyRUPMVQBINNZFTJ-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
1-(1-Adamantyl)-3-trimethylsilylprop-2-yn-1-one
CID 10706496
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Methyl-1-trimethylsilyldec-1-yn-3-one
CID 101512279
1-Cyclohexyl-3-(triisopropylsilyl)prop-2-yn-1-one
CID 122380975
4-Tert-butyl-2-methyl-6-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 135049648
3-[Dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one
CID 139263738
2-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 154721374
2-Acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 164668741

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one (CID 75040801) is 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one is CC(C)(C)C1CCC(=O)C(CC#C[Si](C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
The InChIKey is RUPMVQBINNZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-16(2,3)14-9-10-15(17)13(12-14)8-7-11-18(4,5)6/h13-14H,8-10,12H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one has a molecular weight of 264.48 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one is sourced from PubChem (CID 75040801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).