(6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol

C41H60O2Si — CID 11387924

IUPAC(6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H60O2Si/c1-33(2)20-18-23-35(4)25-19-24-34(3)21-16-17-22-36(5)30-31-40(42)37(6)32-43-44(41(7,8)9,38-26-12-10-13-27-38)39-28-14-11-15-29-39/h10-15,20-22,25-29,40,42H,6,16-19,23-24,30-32H2,1-5,7-9H3/b34-21+,35-25+,36-22+
InChIKeySZHILCXPOLMMRQ-SXXKPQCTSA-N
MW613.02 g/mol
LogP10.41
Rot. Bonds18

About (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol

(6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol (PubChem CID 11387924) has the molecular formula C41H60O2Si and a molecular weight of 613.02 g/mol. Its IUPAC name is (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol.

Molecular Properties

Compound Name(6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol
PubChem CID11387924
Molecular FormulaC41H60O2Si
Molecular Weight613.02 g/mol
Exact Mass612.44
IUPAC Name(6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H60O2Si/c1-33(2)20-18-23-35(4)25-19-24-34(3)21-16-17-22-36(5)30-31-40(42)37(6)32-43-44(41(7,8)9,38-26-12-10-13-27-38)39-28-14-11-15-29-39/h10-15,20-22,25-29,40,42H,6,16-19,23-24,30-32H2,1-5,7-9H3/b34-21+,35-25+,36-22+
InChIKeySZHILCXPOLMMRQ-SXXKPQCTSA-N
XLogP10.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.02
LogP ≤ 510.41
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol?
The IUPAC name of (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol (CID 11387924) is (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol.
What is the SMILES notation for (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol?
The canonical SMILES for (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol?
The InChIKey is SZHILCXPOLMMRQ-SXXKPQCTSA-N. The full InChI is InChI=1S/C41H60O2Si/c1-33(2)20-18-23-35(4)25-19-24-34(3)21-16-17-22-36(5)30-31-40(42)37(6)32-43-44(41(7,8)9,38-26-12-10-13-27-38)39-28-14-11-15-29-39/h10-15,20-22,25-29,40,42H,6,16-19,23-24,30-32H2,1-5,7-9H3/b34-21+,35-25+,36-22+.
What are the key properties of (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol?
(6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol has a molecular weight of 613.02 g/mol, XLogP of 10.41, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-ol is sourced from PubChem (CID 11387924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).