[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane

C31H49N3O4Si — CID 59055125

IUPAC[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
SMILESCCCCCCC[C@H](CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-])OCOC
InChIInChI=1S/C31H49N3O4Si/c1-6-7-8-9-12-17-28(37-26-35-5)22-23-36-24-27(33-34-32)25-38-39(31(2,3)4,29-18-13-10-14-19-29)30-20-15-11-16-21-30/h10-11,13-16,18-21,27-28H,6-9,12,17,22-26H2,1-5H3/t27?,28-/m1/s1
InChIKeyXAAWIYOMHYRYED-PLYLYKGUSA-N
MW555.84 g/mol
LogP7.00
Rot. Bonds20

About [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane

[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane (PubChem CID 59055125) has the molecular formula C31H49N3O4Si and a molecular weight of 555.84 g/mol. Its IUPAC name is [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
PubChem CID59055125
Molecular FormulaC31H49N3O4Si
Molecular Weight555.84 g/mol
Exact Mass555.35
IUPAC Name[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane
SMILESCCCCCCC[C@H](CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-])OCOC
InChIInChI=1S/C31H49N3O4Si/c1-6-7-8-9-12-17-28(37-26-35-5)22-23-36-24-27(33-34-32)25-38-39(31(2,3)4,29-18-13-10-14-19-29)30-20-15-11-16-21-30/h10-11,13-16,18-21,27-28H,6-9,12,17,22-26H2,1-5H3/t27?,28-/m1/s1
InChIKeyXAAWIYOMHYRYED-PLYLYKGUSA-N
XLogP7.00
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.84
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
[(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate
CID 57757051
(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 57757052
[2-azido-3-[(3R)-3-methyldecoxy]propoxy]-tert-butyl-diphenylsilane
CID 57757076
[(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate
CID 59055085
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 59055138
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol
CID 59087832
(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol;(3R)-1-[(2S)-2-azido-3-hydroxypropoxy]decan-3-ol
CID 161759360
[(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-yl] prop-2-enyl carbonate
CID 173563872
[(2R)-2-azido-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 10895181
[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(11-methyldodecyl)-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 11954958
1-[2-Azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 20578359

Frequently Asked Questions

What is the IUPAC name of [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane (CID 59055125) is [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane is CCCCCCC[C@H](CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-])OCOC.
What is the InChIKey of [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane?
The InChIKey is XAAWIYOMHYRYED-PLYLYKGUSA-N. The full InChI is InChI=1S/C31H49N3O4Si/c1-6-7-8-9-12-17-28(37-26-35-5)22-23-36-24-27(33-34-32)25-38-39(31(2,3)4,29-18-13-10-14-19-29)30-20-15-11-16-21-30/h10-11,13-16,18-21,27-28H,6-9,12,17,22-26H2,1-5H3/t27?,28-/m1/s1.
What are the key properties of [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane?
[2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane has a molecular weight of 555.84 g/mol, XLogP of 7.00, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-azido-3-[(3R)-3-(methoxymethoxy)decoxy]propoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 59055125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).