(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane

C26H29N3OSi — CID 18367327

IUPAC(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2c1CCCC2N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3OSi/c1-26(2,3)31(20-12-6-4-7-13-20,21-14-8-5-9-15-21)30-25-19-11-16-22-23(25)17-10-18-24(22)28-29-27/h4-9,11-16,19,24H,10,17-18H2,1-3H3
InChIKeySJQGRSYYHYIOKH-UHFFFAOYSA-N
MW427.62 g/mol
LogP6.31
Rot. Bonds5

About (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane

(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane (PubChem CID 18367327) has the molecular formula C26H29N3OSi and a molecular weight of 427.62 g/mol. Its IUPAC name is (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
PubChem CID18367327
Molecular FormulaC26H29N3OSi
Molecular Weight427.62 g/mol
Exact Mass427.21
IUPAC Name(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2c1CCCC2N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3OSi/c1-26(2,3)31(20-12-6-4-7-13-20,21-14-8-5-9-15-21)30-25-19-11-16-22-23(25)17-10-18-24(22)28-29-27/h4-9,11-16,19,24H,10,17-18H2,1-3H3
InChIKeySJQGRSYYHYIOKH-UHFFFAOYSA-N
XLogP6.31
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.62
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane
CID 10971697
1-azido-4-methyl-2,3-dihydro-1H-indene
CID 59860533
2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
CID 70187793
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
ethyl (1S,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 54371121
(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol
CID 54421594
2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66696715
tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane
CID 87787763
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
CID 167645226
CID 167645226
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486

Frequently Asked Questions

What is the IUPAC name of (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane?
The IUPAC name of (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane (CID 18367327) is (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane?
The canonical SMILES for (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1cccc2c1CCCC2N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane?
The InChIKey is SJQGRSYYHYIOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3OSi/c1-26(2,3)31(20-12-6-4-7-13-20,21-14-8-5-9-15-21)30-25-19-11-16-22-23(25)17-10-18-24(22)28-29-27/h4-9,11-16,19,24H,10,17-18H2,1-3H3.
What are the key properties of (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane?
(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane has a molecular weight of 427.62 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 18367327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).