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

C21H38O3Si — CID 46243244

IUPAC(1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-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(C(C)C)C[C@@H](O)[C@@]2(C)O1
InChIInChI=1S/C21H38O3Si/c1-8-25(9-2,10-3)24-19(6)12-11-16-17(19)13-21(15(4)5)14-18(22)20(16,7)23-21/h13,15-16,18,22H,8-12,14H2,1-7H3/t16-,18-,19+,20+,21-/m1/s1
InChIKeyFKPQAHOLNCSPSP-BVJIBDCISA-N
MW366.62 g/mol
LogP5.05
Rot. Bonds6

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

(1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (PubChem CID 46243244) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.

Molecular Properties

Compound Name(1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
PubChem CID46243244
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-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(C(C)C)C[C@@H](O)[C@@]2(C)O1
InChIInChI=1S/C21H38O3Si/c1-8-25(9-2,10-3)24-19(6)12-11-16-17(19)13-21(15(4)5)14-18(22)20(16,7)23-21/h13,15-16,18,22H,8-12,14H2,1-7H3/t16-,18-,19+,20+,21-/m1/s1
InChIKeyFKPQAHOLNCSPSP-BVJIBDCISA-N
XLogP5.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.05
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)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The IUPAC name of (1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (CID 46243244) is (1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-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)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The canonical SMILES for (1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-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(C(C)C)C[C@@H](O)[C@@]2(C)O1.
What is the InChIKey of (1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The InChIKey is FKPQAHOLNCSPSP-BVJIBDCISA-N. The full InChI is InChI=1S/C21H38O3Si/c1-8-25(9-2,10-3)24-19(6)12-11-16-17(19)13-21(15(4)5)14-18(22)20(16,7)23-21/h13,15-16,18,22H,8-12,14H2,1-7H3/t16-,18-,19+,20+,21-/m1/s1.
What are the key properties of (1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
(1S,2R,5S,8R,10R)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol has a molecular weight of 366.62 g/mol, XLogP of 5.05, 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)-1,5-dimethyl-8-propan-2-yl-5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is sourced from PubChem (CID 46243244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).