[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane

C28H41N3O3Si — CID 134845852

IUPAC[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
SMILESC[C@H]1[C@@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@@H]1[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C28H41N3O3Si/c1-20(25-21(2)26(22(3)30-31-29)34-28(7,8)33-25)19-32-35(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26H,19H2,1-8H3/t20-,21+,22-,25-,26+/m1/s1
InChIKeySATKUSMIFHRIJS-ZDLRPUJNSA-N
MW495.74 g/mol
LogP6.05
Rot. Bonds8

About [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane

[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane (PubChem CID 134845852) has the molecular formula C28H41N3O3Si and a molecular weight of 495.74 g/mol. Its IUPAC name is [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
PubChem CID134845852
Molecular FormulaC28H41N3O3Si
Molecular Weight495.74 g/mol
Exact Mass495.29
IUPAC Name[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
SMILESC[C@H]1[C@@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@@H]1[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C28H41N3O3Si/c1-20(25-21(2)26(22(3)30-31-29)34-28(7,8)33-25)19-32-35(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26H,19H2,1-8H3/t20-,21+,22-,25-,26+/m1/s1
InChIKeySATKUSMIFHRIJS-ZDLRPUJNSA-N
XLogP6.05
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-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

[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
CID 11656197
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane
CID 134866514
2-[(6S)-6-[(1R,2S,3R,6S)-1-azido-2,6-dimethyl-3-propylcyclohexyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy-tert-butyl-diphenylsilane
CID 57017900
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol
CID 57712764
[2-azido-3-[(3R)-3-methyldecoxy]propoxy]-tert-butyl-diphenylsilane
CID 57757076
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611
[(3S,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 71072338
(3S,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol
CID 91172770
methyl (2S)-2-[(4S,5S)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 157549898
(3S,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol;carbanide
CID 162048071
[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
CID 10007067

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane (CID 134845852) is [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane is C[C@H]1[C@@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@@H]1[C@@H](C)N=[N+]=[N-].
What is the InChIKey of [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?
The InChIKey is SATKUSMIFHRIJS-ZDLRPUJNSA-N. The full InChI is InChI=1S/C28H41N3O3Si/c1-20(25-21(2)26(22(3)30-31-29)34-28(7,8)33-25)19-32-35(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26H,19H2,1-8H3/t20-,21+,22-,25-,26+/m1/s1.
What are the key properties of [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?
[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane has a molecular weight of 495.74 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 134845852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).