(1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol

C24H42O3Si — CID 140868863

IUPAC(1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
SMILESCC[Si](CC)(CC)O[C@@]1(C)CC[C@@H]2C1=C[C@]1(C3CCCCC3)C[C@@H](O)[C@@]2(C)O1
InChIInChI=1S/C24H42O3Si/c1-6-28(7-2,8-3)27-22(4)15-14-19-20(22)16-24(18-12-10-9-11-13-18)17-21(25)23(19,5)26-24/h16,18-19,21,25H,6-15,17H2,1-5H3/t19-,21-,22+,23+,24-/m1/s1
InChIKeyUJWFNAPRYXIKOY-SAKKWRDPSA-N
MW406.68 g/mol
LogP5.98
Rot. Bonds6

About (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol

(1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (PubChem CID 140868863) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.

Molecular Properties

Compound Name(1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
PubChem CID140868863
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name(1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
SMILESCC[Si](CC)(CC)O[C@@]1(C)CC[C@@H]2C1=C[C@]1(C3CCCCC3)C[C@@H](O)[C@@]2(C)O1
InChIInChI=1S/C24H42O3Si/c1-6-28(7-2,8-3)27-22(4)15-14-19-20(22)16-24(18-12-10-9-11-13-18)17-21(25)23(19,5)26-24/h16,18-19,21,25H,6-15,17H2,1-5H3/t19-,21-,22+,23+,24-/m1/s1
InChIKeyUJWFNAPRYXIKOY-SAKKWRDPSA-N
XLogP5.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The IUPAC name of (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (CID 140868863) is (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.
What is the SMILES notation for (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The canonical SMILES for (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is CC[Si](CC)(CC)O[C@@]1(C)CC[C@@H]2C1=C[C@]1(C3CCCCC3)C[C@@H](O)[C@@]2(C)O1.
What is the InChIKey of (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The InChIKey is UJWFNAPRYXIKOY-SAKKWRDPSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-6-28(7-2,8-3)27-22(4)15-14-19-20(22)16-24(18-12-10-9-11-13-18)17-21(25)23(19,5)26-24/h16,18-19,21,25H,6-15,17H2,1-5H3/t19-,21-,22+,23+,24-/m1/s1.
What are the key properties of (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
(1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol has a molecular weight of 406.68 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,8R,10R)-8-cyclohexyl-1,5-dimethyl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is sourced from PubChem (CID 140868863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).