(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane

C25H27N3OSi — CID 10971697

IUPAC(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc2c(c1)C(N=[N+]=[N-])CC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3OSi/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-16-14-19-15-17-24(27-28-26)23(19)18-20/h4-14,16,18,24H,15,17H2,1-3H3
InChIKeySNDLVSFTDZHGLA-UHFFFAOYSA-N
MW413.60 g/mol
LogP5.92
Rot. Bonds5

About (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane

(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane (PubChem CID 10971697) has the molecular formula C25H27N3OSi and a molecular weight of 413.60 g/mol. Its IUPAC name is (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane
PubChem CID10971697
Molecular FormulaC25H27N3OSi
Molecular Weight413.60 g/mol
Exact Mass413.19
IUPAC Name(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc2c(c1)C(N=[N+]=[N-])CC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3OSi/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-16-14-19-15-17-24(27-28-26)23(19)18-20/h4-14,16,18,24H,15,17H2,1-3H3
InChIKeySNDLVSFTDZHGLA-UHFFFAOYSA-N
XLogP5.92
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.60
LogP ≤ 55.92
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

(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
CID 18367327
(1R)-1-azido-2,3-dihydro-1H-indene
CID 89202215
tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 10875484
tert-butyl N-[(3S)-1-[(1S)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 10940797
tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 18433528
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
3-[6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroinden-1-yl]prop-2-enal
CID 173311465
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
(11'R)-3'-[tert-butyl(diphenyl)silyl]oxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-11'-ol
CID 59032115
tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 11061212
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751

Frequently Asked Questions

What is the IUPAC name of (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane?
The IUPAC name of (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane (CID 10971697) is (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane?
The canonical SMILES for (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1ccc2c(c1)C(N=[N+]=[N-])CC2)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane?
The InChIKey is SNDLVSFTDZHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OSi/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-16-14-19-15-17-24(27-28-26)23(19)18-20/h4-14,16,18,24H,15,17H2,1-3H3.
What are the key properties of (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane?
(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane has a molecular weight of 413.60 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10971697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).