[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol

C19H36O2Si — CID 53348300

IUPAC[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@H]3[C@H](CC[C@H]31)C[C@@H]2CO
InChIInChI=1S/C19H36O2Si/c1-19(2,3)22(4,5)21-18-9-7-13-11-17-14(6-8-16(17)18)10-15(13)12-20/h13-18,20H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-/m1/s1
InChIKeyLNEPYGXJLJOHSP-NKXHUJMZSA-N
MW324.58 g/mol
LogP4.83
Rot. Bonds3

About [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol

[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol (PubChem CID 53348300) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol.

Molecular Properties

Compound Name[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol
PubChem CID53348300
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@H]3[C@H](CC[C@H]31)C[C@@H]2CO
InChIInChI=1S/C19H36O2Si/c1-19(2,3)22(4,5)21-18-9-7-13-11-17-14(6-8-16(17)18)10-15(13)12-20/h13-18,20H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-/m1/s1
InChIKeyLNEPYGXJLJOHSP-NKXHUJMZSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol?
The IUPAC name of [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol (CID 53348300) is [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol.
What is the SMILES notation for [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol?
The canonical SMILES for [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@H]3[C@H](CC[C@H]31)C[C@@H]2CO.
What is the InChIKey of [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol?
The InChIKey is LNEPYGXJLJOHSP-NKXHUJMZSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-19(2,3)22(4,5)21-18-9-7-13-11-17-14(6-8-16(17)18)10-15(13)12-20/h13-18,20H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-/m1/s1.
What are the key properties of [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol?
[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol has a molecular weight of 324.58 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol is sourced from PubChem (CID 53348300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).