1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one

C18H32OSi — CID 122380975

IUPAC1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one
SMILESCC(C)[Si](C#CC(=O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-17H,7-11H2,1-6H3
InChIKeyNFGWUWNTVAZLHU-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.36
Rot. Bonds4

About 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one

1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one (PubChem CID 122380975) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one
PubChem CID122380975
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one
SMILESCC(C)[Si](C#CC(=O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-17H,7-11H2,1-6H3
InChIKeyNFGWUWNTVAZLHU-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.36
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-2-(trimethylsilyl)ethanone
CID 552815
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
3-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 12430168
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 11194896
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
CID 12635913
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
(3S)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 44632134
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
The IUPAC name of 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one (CID 122380975) is 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one.
What is the SMILES notation for 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
The canonical SMILES for 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one is CC(C)[Si](C#CC(=O)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
The InChIKey is NFGWUWNTVAZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-17H,7-11H2,1-6H3.
What are the key properties of 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one has a molecular weight of 292.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-one is sourced from PubChem (CID 122380975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).