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

C29H45N3O3Si — CID 20578359

IUPAC1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
SMILESCCCCCCCC(O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C29H45N3O3Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35-36(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
InChIKeyNLXNHZIAYPADOA-UHFFFAOYSA-N
MW511.78 g/mol
LogP6.37
Rot. Bonds17

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

1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol (PubChem CID 20578359) has the molecular formula C29H45N3O3Si and a molecular weight of 511.78 g/mol. Its IUPAC name is 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol.

Molecular Properties

Compound Name1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
PubChem CID20578359
Molecular FormulaC29H45N3O3Si
Molecular Weight511.78 g/mol
Exact Mass511.32
IUPAC Name1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
SMILESCCCCCCCC(O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C29H45N3O3Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35-36(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
InChIKeyNLXNHZIAYPADOA-UHFFFAOYSA-N
XLogP6.37
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.78
LogP ≤ 56.37
H-Bond Donors ≤ 51
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,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
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(E,2S,3S)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 59032076
[(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate
CID 59055085
[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

Frequently Asked Questions

What is the IUPAC name of 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
The IUPAC name of 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol (CID 20578359) is 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol.
What is the SMILES notation for 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
The canonical SMILES for 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol is CCCCCCCC(O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
The InChIKey is NLXNHZIAYPADOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N3O3Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35-36(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.
What are the key properties of 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol has a molecular weight of 511.78 g/mol, XLogP of 6.37, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol is sourced from PubChem (CID 20578359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).