[(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol

C16H30O2Si — CID 101407451

IUPAC[(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCC1=CC[C@H]2C[C@]1(O[Si](C)(C)C(C)(C)C)[C@@]2(C)CO
InChIInChI=1S/C16H30O2Si/c1-12-8-9-13-10-16(12,15(13,5)11-17)18-19(6,7)14(2,3)4/h8,13,17H,9-11H2,1-7H3/t13-,15-,16+/m0/s1
InChIKeyUPXHIQAUJNPRSD-CWRNSKLLSA-N
MW282.50 g/mol
LogP4.12
Rot. Bonds3

About [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol

[(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol (PubChem CID 101407451) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol.

Molecular Properties

Compound Name[(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
PubChem CID101407451
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCC1=CC[C@H]2C[C@]1(O[Si](C)(C)C(C)(C)C)[C@@]2(C)CO
InChIInChI=1S/C16H30O2Si/c1-12-8-9-13-10-16(12,15(13,5)11-17)18-19(6,7)14(2,3)4/h8,13,17H,9-11H2,1-7H3/t13-,15-,16+/m0/s1
InChIKeyUPXHIQAUJNPRSD-CWRNSKLLSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.12
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,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
The IUPAC name of [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol (CID 101407451) is [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol.
What is the SMILES notation for [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
The canonical SMILES for [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol is CC1=CC[C@H]2C[C@]1(O[Si](C)(C)C(C)(C)C)[C@@]2(C)CO.
What is the InChIKey of [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
The InChIKey is UPXHIQAUJNPRSD-CWRNSKLLSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-8-9-13-10-16(12,15(13,5)11-17)18-19(6,7)14(2,3)4/h8,13,17H,9-11H2,1-7H3/t13-,15-,16+/m0/s1.
What are the key properties of [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
[(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol has a molecular weight of 282.50 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol is sourced from PubChem (CID 101407451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).