tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane

C20H27IOSi — CID 173226598

IUPACtert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(C=CI)c1cccc2ccccc12
InChIInChI=1S/C20H27IOSi/c1-20(2,3)23(4,5)22-15-17(13-14-21)19-12-8-10-16-9-6-7-11-18(16)19/h6-14,17H,15H2,1-5H3
InChIKeyNWPUPWBBYFAXAJ-UHFFFAOYSA-N
MW438.43 g/mol
LogP6.89
Rot. Bonds5

About tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane

tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane (PubChem CID 173226598) has the molecular formula C20H27IOSi and a molecular weight of 438.43 g/mol. Its IUPAC name is tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane
PubChem CID173226598
Molecular FormulaC20H27IOSi
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Nametert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(C=CI)c1cccc2ccccc12
InChIInChI=1S/C20H27IOSi/c1-20(2,3)23(4,5)22-15-17(13-14-21)19-12-8-10-16-9-6-7-11-18(16)19/h6-14,17H,15H2,1-5H3
InChIKeyNWPUPWBBYFAXAJ-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.43
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
[1-(1-benzothiophen-2-yl)-4-iodobut-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 91206884
tert-butyl-dimethyl-[(E,2R)-2-(2,3,4,5,6-pentafluorophenyl)-6-phenylhex-3-enoxy]silane
CID 57413406
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol
CID 11039475
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane
CID 132602283
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol
CID 21356544
[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 174066018

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane (CID 173226598) is tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(C=CI)c1cccc2ccccc12.
What is the InChIKey of tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane?
The InChIKey is NWPUPWBBYFAXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27IOSi/c1-20(2,3)23(4,5)22-15-17(13-14-21)19-12-8-10-16-9-6-7-11-18(16)19/h6-14,17H,15H2,1-5H3.
What are the key properties of tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane?
tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane has a molecular weight of 438.43 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane is sourced from PubChem (CID 173226598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).