(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol

C13H26O2Si — CID 164668674

IUPAC(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC[C@@H]1O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h8,12,14H,6-7,9-10H2,1-5H3/t12-/m0/s1
InChIKeySTMCNRSKDBIRJG-LBPRGKRZSA-N
MW242.43 g/mol
LogP3.48
Rot. Bonds3

About (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol

(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol (PubChem CID 164668674) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
PubChem CID164668674
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC[C@@H]1O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h8,12,14H,6-7,9-10H2,1-5H3/t12-/m0/s1
InChIKeySTMCNRSKDBIRJG-LBPRGKRZSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-methylene-6-octene-1,3,8-triol
CID 131752432
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
(S,Z)-2-(5-((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 11119109
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
CID 11359645
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
CID 11514402
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethylcyclohex-2-en-1-ol
CID 12166123
2-Trimethylsilylcyclohex-2-en-1-ol
CID 12632650
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
The IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol (CID 164668674) is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)OCC1=CCCC[C@@H]1O.
What is the InChIKey of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
The InChIKey is STMCNRSKDBIRJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h8,12,14H,6-7,9-10H2,1-5H3/t12-/m0/s1.
What are the key properties of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 164668674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).