[2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol

C12H20OSi — CID 121015129

IUPAC[2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol
SMILESC[Si](C)(C)C#CC1=C(CO)CCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h13H,4-7,10H2,1-3H3
InChIKeyXUYSWUUTXFWAGT-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.73
Rot. Bonds1

About [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol

[2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol (PubChem CID 121015129) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol
PubChem CID121015129
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name[2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol
SMILESC[Si](C)(C)C#CC1=C(CO)CCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h13H,4-7,10H2,1-3H3
InChIKeyXUYSWUUTXFWAGT-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-(Cyclohexen-1-yl)-3-trimethylsilylpropan-1-ol
CID 101386357
1-(2-Ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
CID 134884576
4-Methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
CID 134897048
Tert-butyl-[(2-ethynylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 135038254
2-Methyl-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85807164
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methanol
CID 153453207
[Tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methanol
CID 154445510
(2-Trimethylsilylcyclohexen-1-yl)methanol
CID 10397501
1-(2-Hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol
CID 11067068
(6-Trimethylsilylcyclohexen-1-yl)methanol
CID 14742210
1-[2-[2-Tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol
CID 25139389
1-(Cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
CID 56837281

Frequently Asked Questions

What is the IUPAC name of [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol?
The IUPAC name of [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol (CID 121015129) is [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol.
What is the SMILES notation for [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol?
The canonical SMILES for [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol is C[Si](C)(C)C#CC1=C(CO)CCCC1.
What is the InChIKey of [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol?
The InChIKey is XUYSWUUTXFWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h13H,4-7,10H2,1-3H3.
What are the key properties of [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol?
[2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol has a molecular weight of 208.38 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-trimethylsilylethynyl)cyclohexen-1-yl]methanol is sourced from PubChem (CID 121015129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).