(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol

C15H30O2Si — CID 91867287

IUPAC(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@H]1O
InChIInChI=1S/C15H30O2Si/c1-11-9-12(10-15(5,6)13(11)16)17-18(7,8)14(2,3)4/h9,12-13,16H,10H2,1-8H3/t12-,13-/m0/s1
InChIKeyJNKRAYWARDEOKZ-STQMWFEESA-N
MW270.49 g/mol
LogP4.11
Rot. Bonds2

About (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol

(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol (PubChem CID 91867287) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol
PubChem CID91867287
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@H]1O
InChIInChI=1S/C15H30O2Si/c1-11-9-12(10-15(5,6)13(11)16)17-18(7,8)14(2,3)4/h9,12-13,16H,10H2,1-8H3/t12-,13-/m0/s1
InChIKeyJNKRAYWARDEOKZ-STQMWFEESA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.11
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

Isophorol
CID 79016
3,6,6-Trimethyl-cyclohex-2-enol
CID 558613
Isophorol, (-)-
CID 6999727
Isophorol, (+)-
CID 6992208
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
3,4,4-Trimethyl-cyclohex-2-en-1-ol
CID 549793
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
CID 11514402
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethylcyclohex-2-en-1-ol
CID 12166123
1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cyclohexan-1-ol
CID 13183200

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol (CID 91867287) is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol is CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@H]1O.
What is the InChIKey of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol?
The InChIKey is JNKRAYWARDEOKZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11-9-12(10-15(5,6)13(11)16)17-18(7,8)14(2,3)4/h9,12-13,16H,10H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol?
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol has a molecular weight of 270.49 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 91867287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).