2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one

C16H28O2Si — CID 139254997

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC#CCC1CCCCC1=O
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-13-9-8-11-14-10-6-7-12-15(14)17/h14H,6-7,10-13H2,1-5H3
InChIKeyJNXOSPFVEYWECR-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.16
Rot. Bonds3

About 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one

2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one (PubChem CID 139254997) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one
PubChem CID139254997
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC#CCC1CCCCC1=O
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-13-9-8-11-14-10-6-7-12-15(14)17/h14H,6-7,10-13H2,1-5H3
InChIKeyJNXOSPFVEYWECR-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.16
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'}

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Related Compounds

1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
3-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 12430168
1-[Tert-butyl(dimethyl)silyl]oxyundec-2-yn-4-one
CID 88867921
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 11194896
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
(3S)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 44632134
1-Cyclohexyl-3-(triisopropylsilyl)prop-2-yn-1-one
CID 122380975
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-one
CID 134857745
2-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 154721374
3-(2-Trimethoxysilylethyl)cyclohexan-1-one
CID 58813393
2-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 131111393
4-[2-[Diethoxy(methyl)silyl]ethyl]cyclohexan-1-one
CID 139758434

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one (CID 139254997) is 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OCC#CCC1CCCCC1=O.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one?
The InChIKey is JNXOSPFVEYWECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-13-9-8-11-14-10-6-7-12-15(14)17/h14H,6-7,10-13H2,1-5H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one?
2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one has a molecular weight of 280.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one is sourced from PubChem (CID 139254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).