3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane

C25H35N3O3Si — CID 71514367

IUPAC3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@@H](N=[N+]=[N-])[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H35N3O3Si/c1-24(2,3)32(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-18-12-17-23-22(27-28-26)19-29-25(4,5)31-23/h6-11,13-16,22-23H,12,17-19H2,1-5H3/t22-,23+/m1/s1
InChIKeyJHQUYUVGWQMRFB-PKTZIBPZSA-N
MW453.66 g/mol
LogP5.17
Rot. Bonds8

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

3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane (PubChem CID 71514367) has the molecular formula C25H35N3O3Si and a molecular weight of 453.66 g/mol. Its IUPAC name is 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
PubChem CID71514367
Molecular FormulaC25H35N3O3Si
Molecular Weight453.66 g/mol
Exact Mass453.24
IUPAC Name3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@@H](N=[N+]=[N-])[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H35N3O3Si/c1-24(2,3)32(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-18-12-17-23-22(27-28-26)19-29-25(4,5)31-23/h6-11,13-16,22-23H,12,17-19H2,1-5H3/t22-,23+/m1/s1
InChIKeyJHQUYUVGWQMRFB-PKTZIBPZSA-N
XLogP5.17
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.66
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
CID 11656197
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
CID 71514366
[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 134845852
[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
[(3R,4R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 57712837
[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 58678939
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
CID 59055125
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
CID 59765608
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane?
The IUPAC name of 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane (CID 71514367) is 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane is CC1(C)OC[C@@H](N=[N+]=[N-])[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane?
The InChIKey is JHQUYUVGWQMRFB-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H35N3O3Si/c1-24(2,3)32(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-18-12-17-23-22(27-28-26)19-29-25(4,5)31-23/h6-11,13-16,22-23H,12,17-19H2,1-5H3/t22-,23+/m1/s1.
What are the key properties of 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane?
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane has a molecular weight of 453.66 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 71514367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).