[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol

C13H26O2Si — CID 134859641

IUPAC[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C[C@@H]1CO
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h6,8,11-12,14H,7,9-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyJTQLRCBPQVFSIH-VXGBXAGGSA-N
MW242.43 g/mol
LogP3.34
Rot. Bonds3

About [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol

[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol (PubChem CID 134859641) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
PubChem CID134859641
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C[C@@H]1CO
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h6,8,11-12,14H,7,9-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyJTQLRCBPQVFSIH-VXGBXAGGSA-N
XLogP3.34
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 ≤ 53.34
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

(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol (CID 134859641) is [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1CCC=C[C@@H]1CO.
What is the InChIKey of [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol?
The InChIKey is JTQLRCBPQVFSIH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h6,8,11-12,14H,7,9-10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of [(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol?
[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol has a molecular weight of 242.43 g/mol, XLogP of 3.34, 3 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]oxycyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 134859641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).