tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane

C31H44O2Si — CID 10504788

IUPACtert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane
SMILESC=CC[C@@H](CC/C(C)=C/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C31H44O2Si/c1-7-18-28(32-6)25-24-27(2)19-12-8-9-17-26-33-34(31(3,4)5,29-20-13-10-14-21-29)30-22-15-11-16-23-30/h7-8,10-16,19-23,28H,1,9,17-18,24-26H2,2-6H3/b12-8+,27-19+/t28-/m0/s1
InChIKeyZQQLBHCZALDSSZ-QHGJEMQUSA-N
MW476.78 g/mol
LogP7.22
Rot. Bonds14

About tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane

tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane (PubChem CID 10504788) has the molecular formula C31H44O2Si and a molecular weight of 476.78 g/mol. Its IUPAC name is tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane
PubChem CID10504788
Molecular FormulaC31H44O2Si
Molecular Weight476.78 g/mol
Exact Mass476.31
IUPAC Nametert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane
SMILESC=CC[C@@H](CC/C(C)=C/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C31H44O2Si/c1-7-18-28(32-6)25-24-27(2)19-12-8-9-17-26-33-34(31(3,4)5,29-20-13-10-14-21-29)30-22-15-11-16-23-30/h7-8,10-16,19-23,28H,1,9,17-18,24-26H2,2-6H3/b12-8+,27-19+/t28-/m0/s1
InChIKeyZQQLBHCZALDSSZ-QHGJEMQUSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.78
LogP ≤ 57.22
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane with MolForge

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Related Compounds

ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate
CID 71608959
(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
CID 10922612
(5E,7E,11R)-11-methoxy-8-methyltetradeca-5,7,13-trienal
CID 102001360
(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
CID 10903884
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
CID 101058434
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(4R)-2-tert-butyl-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-4,5-dihydro-1,3-oxazole
CID 10109134
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane (CID 10504788) is tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane is C=CC[C@@H](CC/C(C)=C/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane?
The InChIKey is ZQQLBHCZALDSSZ-QHGJEMQUSA-N. The full InChI is InChI=1S/C31H44O2Si/c1-7-18-28(32-6)25-24-27(2)19-12-8-9-17-26-33-34(31(3,4)5,29-20-13-10-14-21-29)30-22-15-11-16-23-30/h7-8,10-16,19-23,28H,1,9,17-18,24-26H2,2-6H3/b12-8+,27-19+/t28-/m0/s1.
What are the key properties of tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane?
tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane has a molecular weight of 476.78 g/mol, XLogP of 7.22, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane is sourced from PubChem (CID 10504788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).