[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol

C16H32O2Si — CID 10779449

IUPAC[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
SMILESCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]1CO
InChIInChI=1S/C16H32O2Si/c1-12-9-10-14(16(5,6)13(12)11-17)18-19(7,8)15(2,3)4/h9,13-14,17H,10-11H2,1-8H3/t13-,14+/m0/s1
InChIKeyJBAHEFKDBQUNDS-UONOGXRCSA-N
MW284.52 g/mol
LogP4.36
Rot. Bonds3

About [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol

[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol (PubChem CID 10779449) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
PubChem CID10779449
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
SMILESCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]1CO
InChIInChI=1S/C16H32O2Si/c1-12-9-10-14(16(5,6)13(12)11-17)18-19(7,8)15(2,3)4/h9,13-14,17H,10-11H2,1-8H3/t13-,14+/m0/s1
InChIKeyJBAHEFKDBQUNDS-UONOGXRCSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.36
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

(1S,5R)-5-(hydroxymethyl)-4,6,6-trimethylcyclohex-3-en-1-ol
CID 10313302
(1R,5S)-5-(hydroxymethyl)-4,6,6-trimethylcyclohex-3-en-1-ol
CID 10773483
5-(Hydroxymethyl)-4,6,6-trimethylcyclohex-3-en-1-ol
CID 15237907
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961479
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(E)-6-cyclohexyl-2,2-dimethyl-5-triethylsilylhex-5-en-3-ol
CID 101899064
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(4S,6S)-6,10-dimethyl-2-(trimethylsilylmethyl)undeca-1,9-dien-4-ol
CID 162404135
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol (CID 10779449) is [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol is CC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]1CO.
What is the InChIKey of [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
The InChIKey is JBAHEFKDBQUNDS-UONOGXRCSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12-9-10-14(16(5,6)13(12)11-17)18-19(7,8)15(2,3)4/h9,13-14,17H,10-11H2,1-8H3/t13-,14+/m0/s1.
What are the key properties of [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol has a molecular weight of 284.52 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 10779449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).