tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane

C27H56O2Si2 — CID 11798527

IUPACtert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane
SMILESC=CCC[C@H](C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O2Si2/c1-15-17-19-22(3)24(28-30(11,12)26(5,6)7)21-25(23(4)20-18-16-2)29-31(13,14)27(8,9)10/h15-16,22-25H,1-2,17-21H2,3-14H3/t22-,23-,24+,25+/m0/s1
InChIKeyBOERNTZLCOVTMR-CXSMSNRLSA-N
MW468.92 g/mol
LogP9.36
Rot. Bonds14

About tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane

tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane (PubChem CID 11798527) has the molecular formula C27H56O2Si2 and a molecular weight of 468.92 g/mol. Its IUPAC name is tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane
PubChem CID11798527
Molecular FormulaC27H56O2Si2
Molecular Weight468.92 g/mol
Exact Mass468.38
IUPAC Nametert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane
SMILESC=CCC[C@H](C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O2Si2/c1-15-17-19-22(3)24(28-30(11,12)26(5,6)7)21-25(23(4)20-18-16-2)29-31(13,14)27(8,9)10/h15-16,22-25H,1-2,17-21H2,3-14H3/t22-,23-,24+,25+/m0/s1
InChIKeyBOERNTZLCOVTMR-CXSMSNRLSA-N
XLogP9.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 59.36
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane (CID 11798527) is tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane is C=CCC[C@H](C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane?
The InChIKey is BOERNTZLCOVTMR-CXSMSNRLSA-N. The full InChI is InChI=1S/C27H56O2Si2/c1-15-17-19-22(3)24(28-30(11,12)26(5,6)7)21-25(23(4)20-18-16-2)29-31(13,14)27(8,9)10/h15-16,22-25H,1-2,17-21H2,3-14H3/t22-,23-,24+,25+/m0/s1.
What are the key properties of tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane?
tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane has a molecular weight of 468.92 g/mol, XLogP of 9.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S,6R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyltrideca-1,12-dien-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 11798527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).