tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane

C17H34O2Si2 — CID 59053151

IUPACtert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
SMILESC[C@H]1C=C(O[Si](C)(C)C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]12
InChIInChI=1S/C17H34O2Si2/c1-12-10-14(18-20(5,6)7)13-11-15(16(12)13)19-21(8,9)17(2,3)4/h10,12-13,15-16H,11H2,1-9H3/t12-,13-,15-,16+/m0/s1
InChIKeyXCKUOSMWLQYQGK-DARAHFNDSA-N
MW326.63 g/mol
LogP5.40
Rot. Bonds4

About tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane

tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane (PubChem CID 59053151) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
PubChem CID59053151
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Nametert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
SMILESC[C@H]1C=C(O[Si](C)(C)C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]12
InChIInChI=1S/C17H34O2Si2/c1-12-10-14(18-20(5,6)7)13-11-15(16(12)13)19-21(8,9)17(2,3)4/h10,12-13,15-16H,11H2,1-9H3/t12-,13-,15-,16+/m0/s1
InChIKeyXCKUOSMWLQYQGK-DARAHFNDSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane (CID 59053151) is tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane is C[C@H]1C=C(O[Si](C)(C)C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
The InChIKey is XCKUOSMWLQYQGK-DARAHFNDSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-12-10-14(18-20(5,6)7)13-11-15(16(12)13)19-21(8,9)17(2,3)4/h10,12-13,15-16H,11H2,1-9H3/t12-,13-,15-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane has a molecular weight of 326.63 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane is sourced from PubChem (CID 59053151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).