1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol

C12H20OSi — CID 56837281

IUPAC1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)C1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,12-13H,4-6,8H2,1-3H3
InChIKeyMTPBZHYOYJKEHT-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.73
Rot. Bonds1

About 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol

1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 56837281) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
PubChem CID56837281
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)C1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,12-13H,4-6,8H2,1-3H3
InChIKeyMTPBZHYOYJKEHT-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
Nonylphenol-d8
CID 129853604
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
(1R)-6-methylidene-3-propylcyclohex-2-en-1-ol
CID 10986439
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
CID 11359645
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol
CID 11514102
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
CID 14221277
(E)-1-trimethylsilyldec-3-en-1-yn-5-ol
CID 15176337

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol (CID 56837281) is 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#CC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is MTPBZHYOYJKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,12-13H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol 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 1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 56837281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).