(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol

C24H42O3Si — CID 140868873

IUPAC(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol
SMILESCC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C3CCCCC3)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2O
InChIInChI=1S/C24H42O3Si/c1-16-13-14-18-20(16)21(25)24(17-11-9-8-10-12-17)15-19(23(18,5)27-24)26-28(6,7)22(2,3)4/h17-19,21,25H,8-15H2,1-7H3/t18-,19-,21+,23+,24-/m1/s1
InChIKeySJHWYJRLWYHXMV-QXASVXAKSA-N
MW406.68 g/mol
LogP5.98
Rot. Bonds3

About (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol

(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol (PubChem CID 140868873) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol.

Molecular Properties

Compound Name(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol
PubChem CID140868873
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol
SMILESCC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C3CCCCC3)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2O
InChIInChI=1S/C24H42O3Si/c1-16-13-14-18-20(16)21(25)24(17-11-9-8-10-12-17)15-19(23(18,5)27-24)26-28(6,7)22(2,3)4/h17-19,21,25H,8-15H2,1-7H3/t18-,19-,21+,23+,24-/m1/s1
InChIKeySJHWYJRLWYHXMV-QXASVXAKSA-N
XLogP5.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
The IUPAC name of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol (CID 140868873) is (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol.
What is the SMILES notation for (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
The canonical SMILES for (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol is CC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C3CCCCC3)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2O.
What is the InChIKey of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
The InChIKey is SJHWYJRLWYHXMV-QXASVXAKSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-16-13-14-18-20(16)21(25)24(17-11-9-8-10-12-17)15-19(23(18,5)27-24)26-28(6,7)22(2,3)4/h17-19,21,25H,8-15H2,1-7H3/t18-,19-,21+,23+,24-/m1/s1.
What are the key properties of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol has a molecular weight of 406.68 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol is sourced from PubChem (CID 140868873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).