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

C21H38O2Si — CID 135068392

IUPAC[(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@]1(C)CC[C@@H]2C1=C[C@@]1(C(C)C)CC[C@]2(C)O1
InChIInChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-20(7)12-11-17-18(20)15-21(16(4)5)14-13-19(17,6)22-21/h15-17H,8-14H2,1-7H3/t17-,19+,20+,21-/m1/s1
InChIKeyZHCLHQMNILVSTQ-BVOGOJNSSA-N
MW350.62 g/mol
LogP6.08
Rot. Bonds6

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

[(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane (PubChem CID 135068392) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane
PubChem CID135068392
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name[(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@]1(C)CC[C@@H]2C1=C[C@@]1(C(C)C)CC[C@]2(C)O1
InChIInChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-20(7)12-11-17-18(20)15-21(16(4)5)14-13-19(17,6)22-21/h15-17H,8-14H2,1-7H3/t17-,19+,20+,21-/m1/s1
InChIKeyZHCLHQMNILVSTQ-BVOGOJNSSA-N
XLogP6.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane?
The IUPAC name of [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane (CID 135068392) is [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane?
The canonical SMILES for [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@]1(C)CC[C@@H]2C1=C[C@@]1(C(C)C)CC[C@]2(C)O1.
What is the InChIKey of [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane?
The InChIKey is ZHCLHQMNILVSTQ-BVOGOJNSSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-20(7)12-11-17-18(20)15-21(16(4)5)14-13-19(17,6)22-21/h15-17H,8-14H2,1-7H3/t17-,19+,20+,21-/m1/s1.
What are the key properties of [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane?
[(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane has a molecular weight of 350.62 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane is sourced from PubChem (CID 135068392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).