tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane

C25H50O2Si — CID 24808853

IUPACtert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCC)O1
InChIInChI=1S/C25H50O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-23-24(21-20-22(9-2)26-23)27-28(6,7)25(3,4)5/h9,22-24H,2,8,10-21H2,1,3-7H3/t22-,23+,24+/m0/s1
InChIKeyOYEGUHDEOQYESW-RBZQAINGSA-N
MW410.76 g/mol
LogP8.42
Rot. Bonds14

About tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane (PubChem CID 24808853) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
PubChem CID24808853
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Nametert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCC)O1
InChIInChI=1S/C25H50O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-23-24(21-20-22(9-2)26-23)27-28(6,7)25(3,4)5/h9,22-24H,2,8,10-21H2,1,3-7H3/t22-,23+,24+/m0/s1
InChIKeyOYEGUHDEOQYESW-RBZQAINGSA-N
XLogP8.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane
CID 101185877
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
(4aR,8R,8aS)-2,2-ditert-butyl-8-non-1-en-2-yloxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 11429790
tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 11515310
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
CID 56593730
2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetonitrile
CID 56593731
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
[(2S,4S,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101556891
(4aR,8R,8aS)-2,2-ditert-butyl-8-heptadec-1-en-2-yloxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 101724314

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane (CID 24808853) is tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane is C=C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCC)O1.
What is the InChIKey of tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is OYEGUHDEOQYESW-RBZQAINGSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-23-24(21-20-22(9-2)26-23)27-28(6,7)25(3,4)5/h9,22-24H,2,8,10-21H2,1,3-7H3/t22-,23+,24+/m0/s1.
What are the key properties of tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 410.76 g/mol, XLogP of 8.42, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 24808853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).