(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol

C12H24O2Si — CID 139121325

IUPAC(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESC[C@H]1[C@@H]([Si](C)(C)C)[C@@]2(C)CCC[C@]1(O)O2
InChIInChI=1S/C12H24O2Si/c1-9-10(15(3,4)5)11(2)7-6-8-12(9,13)14-11/h9-10,13H,6-8H2,1-5H3/t9-,10+,11+,12-/m0/s1
InChIKeySQJDCCWLGPRWGC-QCNOEVLYSA-N
MW228.41 g/mol
LogP2.99
Rot. Bonds1

About (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol

(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 139121325) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol
PubChem CID139121325
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESC[C@H]1[C@@H]([Si](C)(C)C)[C@@]2(C)CCC[C@]1(O)O2
InChIInChI=1S/C12H24O2Si/c1-9-10(15(3,4)5)11(2)7-6-8-12(9,13)14-11/h9-10,13H,6-8H2,1-5H3/t9-,10+,11+,12-/m0/s1
InChIKeySQJDCCWLGPRWGC-QCNOEVLYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.99
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 (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol (CID 139121325) is (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol is C[C@H]1[C@@H]([Si](C)(C)C)[C@@]2(C)CCC[C@]1(O)O2.
What is the InChIKey of (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is SQJDCCWLGPRWGC-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-9-10(15(3,4)5)11(2)7-6-8-12(9,13)14-11/h9-10,13H,6-8H2,1-5H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol?
(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol has a molecular weight of 228.41 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 139121325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).