tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane

C20H40O3Si2 — CID 11132795

IUPACtert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-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=CC[C@@H]1O2
InChIInChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)22-17-15-13-11-12-14-16(21-15)18(17)23-25(9,10)20(4,5)6/h11-12,15-18H,13-14H2,1-10H3/t15-,16+,17-,18-/m1/s1
InChIKeyDNPUAGWGDNFGDN-XMTFNYHQSA-N
MW384.71 g/mol
LogP5.88
Rot. Bonds4

About tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane (PubChem CID 11132795) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane
PubChem CID11132795
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Nametert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-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=CC[C@@H]1O2
InChIInChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)22-17-15-13-11-12-14-16(21-15)18(17)23-25(9,10)20(4,5)6/h11-12,15-18H,13-14H2,1-10H3/t15-,16+,17-,18-/m1/s1
InChIKeyDNPUAGWGDNFGDN-XMTFNYHQSA-N
XLogP5.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 55.88
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
CID 101618169
[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane
CID 89050163
[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10949975
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
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-[[(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
tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane
CID 11312996
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
[(2S,3R,4R,5R)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11761729

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-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=CC[C@@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane?
The InChIKey is DNPUAGWGDNFGDN-XMTFNYHQSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)22-17-15-13-11-12-14-16(21-15)18(17)23-25(9,10)20(4,5)6/h11-12,15-18H,13-14H2,1-10H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane has a molecular weight of 384.71 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11132795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).