tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane

C21H42O3Si2 — CID 10982230

IUPACtert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2CC/C=C\C[C@@H]1O2
InChIInChI=1S/C21H42O3Si2/c1-20(2,3)25(7,8)23-18-16-14-12-11-13-15-17(22-16)19(18)24-26(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3/b12-11-/t16-,17+,18-,19-/m0/s1
InChIKeyYXVVUQFVAWGFCB-ZEQSAFQTSA-N
MW398.74 g/mol
LogP6.27
Rot. Bonds4

About tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane (PubChem CID 10982230) has the molecular formula C21H42O3Si2 and a molecular weight of 398.74 g/mol. Its IUPAC name is tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
PubChem CID10982230
Molecular FormulaC21H42O3Si2
Molecular Weight398.74 g/mol
Exact Mass398.27
IUPAC Nametert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2CC/C=C\C[C@@H]1O2
InChIInChI=1S/C21H42O3Si2/c1-20(2,3)25(7,8)23-18-16-14-12-11-13-15-17(22-16)19(18)24-26(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3/b12-11-/t16-,17+,18-,19-/m0/s1
InChIKeyYXVVUQFVAWGFCB-ZEQSAFQTSA-N
XLogP6.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.74
LogP ≤ 56.27
H-Bond Donors ≤ 50
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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Related Compounds

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CID 91733513
1-O-(9-Octadecenyl)glycerol 2,3-ditrimethylsilyl ether
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CID 10949975
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
CID 11048463
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(prop-2-enyl)oxolan-3-yl]oxy-dimethylsilane
CID 11080147
tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane
CID 11102257
tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane
CID 11132795
tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane
CID 11133412
tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane
CID 11143544
triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
CID 11178541
tert-butyl-[[(1R,3Z,7S,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
CID 11732085
tert-butyl-dimethyl-[(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane
CID 11738486

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane (CID 10982230) is tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2CC/C=C\C[C@@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane?
The InChIKey is YXVVUQFVAWGFCB-ZEQSAFQTSA-N. The full InChI is InChI=1S/C21H42O3Si2/c1-20(2,3)25(7,8)23-18-16-14-12-11-13-15-17(22-16)19(18)24-26(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3/b12-11-/t16-,17+,18-,19-/m0/s1.
What are the key properties of tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane has a molecular weight of 398.74 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10982230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).