tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane

C19H32O2Si — CID 134963235

IUPACtert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane
SMILESCCC1=C[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]23C=C(C)[C@@H]1O3
InChIInChI=1S/C19H32O2Si/c1-8-14-11-15-16(21-22(6,7)18(3,4)5)9-10-19(15)12-13(2)17(14)20-19/h11-12,15-17H,8-10H2,1-7H3/t15-,16+,17+,19-/m1/s1
InChIKeyHJWSBPMJNCKTOF-VUHPKUFZSA-N
MW320.55 g/mol
LogP5.22
Rot. Bonds3

About tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane (PubChem CID 134963235) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane
PubChem CID134963235
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane
SMILESCCC1=C[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]23C=C(C)[C@@H]1O3
InChIInChI=1S/C19H32O2Si/c1-8-14-11-15-16(21-22(6,7)18(3,4)5)9-10-19(15)12-13(2)17(14)20-19/h11-12,15-17H,8-10H2,1-7H3/t15-,16+,17+,19-/m1/s1
InChIKeyHJWSBPMJNCKTOF-VUHPKUFZSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.22
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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Related Compounds

tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 101270902

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane (CID 134963235) is tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane is CCC1=C[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]23C=C(C)[C@@H]1O3.
What is the InChIKey of tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane?
The InChIKey is HJWSBPMJNCKTOF-VUHPKUFZSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-14-11-15-16(21-22(6,7)18(3,4)5)9-10-19(15)12-13(2)17(14)20-19/h11-12,15-17H,8-10H2,1-7H3/t15-,16+,17+,19-/m1/s1.
What are the key properties of tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane has a molecular weight of 320.55 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 134963235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).