tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane

C27H48O4Si — CID 11705370

IUPACtert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H48O4Si/c1-11-12-13-21(2)26(29-8)22(3)25(31-32(9,10)27(4,5)6)18-19-30-20-23-14-16-24(28-7)17-15-23/h11-12,14-17,21-22,25-26H,13,18-20H2,1-10H3/b12-11+/t21-,22-,25+,26+/m0/s1
InChIKeyRXLRQFRDDOKIJE-FMDMDUKZSA-N
MW464.76 g/mol
LogP7.25
Rot. Bonds14

About tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane (PubChem CID 11705370) has the molecular formula C27H48O4Si and a molecular weight of 464.76 g/mol. Its IUPAC name is tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane
PubChem CID11705370
Molecular FormulaC27H48O4Si
Molecular Weight464.76 g/mol
Exact Mass464.33
IUPAC Nametert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H48O4Si/c1-11-12-13-21(2)26(29-8)22(3)25(31-32(9,10)27(4,5)6)18-19-30-20-23-14-16-24(28-7)17-15-23/h11-12,14-17,21-22,25-26H,13,18-20H2,1-10H3/b12-11+/t21-,22-,25+,26+/m0/s1
InChIKeyRXLRQFRDDOKIJE-FMDMDUKZSA-N
XLogP7.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.76
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane (CID 11705370) is tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane is C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
The InChIKey is RXLRQFRDDOKIJE-FMDMDUKZSA-N. The full InChI is InChI=1S/C27H48O4Si/c1-11-12-13-21(2)26(29-8)22(3)25(31-32(9,10)27(4,5)6)18-19-30-20-23-14-16-24(28-7)17-15-23/h11-12,14-17,21-22,25-26H,13,18-20H2,1-10H3/b12-11+/t21-,22-,25+,26+/m0/s1.
What are the key properties of tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane has a molecular weight of 464.76 g/mol, XLogP of 7.25, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R,4R,5R,6S)-5-methoxy-1-[(4-methoxyphenyl)methoxy]-4,6-dimethyldec-8-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11705370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).