tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane

C32H58O2Si — CID 11420696

IUPACtert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane
SMILESCOC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O2Si/c1-26(2)16-13-17-27(3)18-14-20-29(5)24-31(33-10)25-30(6)21-15-19-28(4)22-23-34-35(11,12)32(7,8)9/h16,18,21-22,24,31H,13-15,17,19-20,23,25H2,1-12H3/b27-18+,28-22+,29-24+,30-21+
InChIKeyKSDWWTBYCSTJAY-PPCOIVHTSA-N
MW502.90 g/mol
LogP10.51
Rot. Bonds16

About tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane

tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane (PubChem CID 11420696) has the molecular formula C32H58O2Si and a molecular weight of 502.90 g/mol. Its IUPAC name is tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane
PubChem CID11420696
Molecular FormulaC32H58O2Si
Molecular Weight502.90 g/mol
Exact Mass502.42
IUPAC Nametert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane
SMILESCOC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O2Si/c1-26(2)16-13-17-27(3)18-14-20-29(5)24-31(33-10)25-30(6)21-15-19-28(4)22-23-34-35(11,12)32(7,8)9/h16,18,21-22,24,31H,13-15,17,19-20,23,25H2,1-12H3/b27-18+,28-22+,29-24+,30-21+
InChIKeyKSDWWTBYCSTJAY-PPCOIVHTSA-N
XLogP10.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.90
LogP ≤ 510.51
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane (CID 11420696) is tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane is COC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane?
The InChIKey is KSDWWTBYCSTJAY-PPCOIVHTSA-N. The full InChI is InChI=1S/C32H58O2Si/c1-26(2)16-13-17-27(3)18-14-20-29(5)24-31(33-10)25-30(6)21-15-19-28(4)22-23-34-35(11,12)32(7,8)9/h16,18,21-22,24,31H,13-15,17,19-20,23,25H2,1-12H3/b27-18+,28-22+,29-24+,30-21+.
What are the key properties of tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane?
tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane has a molecular weight of 502.90 g/mol, XLogP of 10.51, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane is sourced from PubChem (CID 11420696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).