tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane

C31H50OSi — CID 11634122

IUPACtert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H50OSi/c1-7-8-9-10-13-19-27(2)20-18-21-28(3)26-32-33(31(4,5)6,29-22-14-11-15-23-29)30-24-16-12-17-25-30/h11-12,14-17,22-25,27-28H,7-10,13,18-21,26H2,1-6H3/t27-,28-/m0/s1
InChIKeyLRUDKFCAMQTWKY-NSOVKSMOSA-N
MW466.83 g/mol
LogP8.37
Rot. Bonds15

About tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane

tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane (PubChem CID 11634122) has the molecular formula C31H50OSi and a molecular weight of 466.83 g/mol. Its IUPAC name is tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
PubChem CID11634122
Molecular FormulaC31H50OSi
Molecular Weight466.83 g/mol
Exact Mass466.36
IUPAC Nametert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H50OSi/c1-7-8-9-10-13-19-27(2)20-18-21-28(3)26-32-33(31(4,5)6,29-22-14-11-15-23-29)30-24-16-12-17-25-30/h11-12,14-17,22-25,27-28H,7-10,13,18-21,26H2,1-6H3/t27-,28-/m0/s1
InChIKeyLRUDKFCAMQTWKY-NSOVKSMOSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.83
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane
CID 23727940
[(2S,3S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-2-yl] acetate
CID 10789919
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane (CID 11634122) is tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane is CCCCCCC[C@H](C)CCC[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane?
The InChIKey is LRUDKFCAMQTWKY-NSOVKSMOSA-N. The full InChI is InChI=1S/C31H50OSi/c1-7-8-9-10-13-19-27(2)20-18-21-28(3)26-32-33(31(4,5)6,29-22-14-11-15-23-29)30-24-16-12-17-25-30/h11-12,14-17,22-25,27-28H,7-10,13,18-21,26H2,1-6H3/t27-,28-/m0/s1.
What are the key properties of tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane?
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane has a molecular weight of 466.83 g/mol, XLogP of 8.37, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane is sourced from PubChem (CID 11634122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).