[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol

C14H28O2Si — CID 14851370

IUPAC[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=CC[C@H]1CO
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h6-7,12-13,15H,8-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyGQGMHZMMRPKHPJ-STQMWFEESA-N
MW256.46 g/mol
LogP3.58
Rot. Bonds4

About [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol

[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol (PubChem CID 14851370) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol
PubChem CID14851370
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=CC[C@H]1CO
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h6-7,12-13,15H,8-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyGQGMHZMMRPKHPJ-STQMWFEESA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol (CID 14851370) is [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol is CC(C)(C)[Si](C)(C)OC[C@@H]1CC=CC[C@H]1CO.
What is the InChIKey of [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is GQGMHZMMRPKHPJ-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h6-7,12-13,15H,8-11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol?
[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 256.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 14851370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).