(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol

C29H45N3O2Si — CID 59087832

IUPAC(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol
SMILESCCCCCCC[C@@H](O)CCOCC(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C29H45N3O2Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35(29(2,3)4,27-17-12-9-13-18-27)28-19-14-10-15-20-28/h9-10,12-15,17-20,25-26,33H,5-8,11,16,21-24H2,1-4H3/t25?,26-/m1/s1
InChIKeyWTSRAGOGFFZZLV-FXDYGKIASA-N
MW495.78 g/mol
LogP6.86
Rot. Bonds16

About (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol

(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol (PubChem CID 59087832) has the molecular formula C29H45N3O2Si and a molecular weight of 495.78 g/mol. Its IUPAC name is (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol
PubChem CID59087832
Molecular FormulaC29H45N3O2Si
Molecular Weight495.78 g/mol
Exact Mass495.33
IUPAC Name(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol
SMILESCCCCCCC[C@@H](O)CCOCC(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C29H45N3O2Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35(29(2,3)4,27-17-12-9-13-18-27)28-19-14-10-15-20-28/h9-10,12-15,17-20,25-26,33H,5-8,11,16,21-24H2,1-4H3/t25?,26-/m1/s1
InChIKeyWTSRAGOGFFZZLV-FXDYGKIASA-N
XLogP6.86
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.78
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol 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

(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
CID 24806188
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
CID 71514366
(2s,3r,4e)-2-azido-3-O-(butyldiphenylsilyl)-4-octadecene-1,3-diol
CID 129800760
(E,2S,3R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 11092950
(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 57757052
(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 57757057
[2-azido-3-[(3R)-3-methyldecoxy]propoxy]-tert-butyl-diphenylsilane
CID 57757076
(E,2S,3S)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 59032076
[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
CID 59055125
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 59055138
2-Azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
CID 59426764
(2R)-4-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol
CID 70995081

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol?
The IUPAC name of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol (CID 59087832) is (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol.
What is the SMILES notation for (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol?
The canonical SMILES for (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol is CCCCCCC[C@@H](O)CCOCC(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol?
The InChIKey is WTSRAGOGFFZZLV-FXDYGKIASA-N. The full InChI is InChI=1S/C29H45N3O2Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35(29(2,3)4,27-17-12-9-13-18-27)28-19-14-10-15-20-28/h9-10,12-15,17-20,25-26,33H,5-8,11,16,21-24H2,1-4H3/t25?,26-/m1/s1.
What are the key properties of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol?
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol has a molecular weight of 495.78 g/mol, XLogP of 6.86, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol is sourced from PubChem (CID 59087832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).