tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane

C18H28ClNO2Si — CID 174049180

IUPACtert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane
SMILESCCOC=Cc1ccnc(C2(O[Si](C)(C)C(C)(C)C)CC2)c1Cl
InChIInChI=1S/C18H28ClNO2Si/c1-7-21-13-9-14-8-12-20-16(15(14)19)18(10-11-18)22-23(5,6)17(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyNSOUQNDCGKUBRL-UHFFFAOYSA-N
MW353.97 g/mol
LogP5.75
Rot. Bonds6

About tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane (PubChem CID 174049180) has the molecular formula C18H28ClNO2Si and a molecular weight of 353.97 g/mol. Its IUPAC name is tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane
PubChem CID174049180
Molecular FormulaC18H28ClNO2Si
Molecular Weight353.97 g/mol
Exact Mass353.16
IUPAC Nametert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane
SMILESCCOC=Cc1ccnc(C2(O[Si](C)(C)C(C)(C)C)CC2)c1Cl
InChIInChI=1S/C18H28ClNO2Si/c1-7-21-13-9-14-8-12-20-16(15(14)19)18(10-11-18)22-23(5,6)17(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyNSOUQNDCGKUBRL-UHFFFAOYSA-N
XLogP5.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.97
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 156803230
2-chloro-4-(2-ethoxyethenyl)pyrimidine
CID 123191191
2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
CID 168866421
6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine
CID 156802916
3-[(E)-2-ethoxyethenyl]furo[2,3-c]pyridine
CID 11275503
[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid
CID 170547677
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol
CID 102511744
(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol
CID 167278323
methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
CID 156504079
3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
CID 140746327
2-chloro-5-[(E)-2-ethoxyethenyl]-N-(3-tricyclo[3.1.0.01,3]hexanyl)pyrimidin-4-amine
CID 89027521
1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 139343805

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane (CID 174049180) is tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane is CCOC=Cc1ccnc(C2(O[Si](C)(C)C(C)(C)C)CC2)c1Cl.
What is the InChIKey of tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is NSOUQNDCGKUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO2Si/c1-7-21-13-9-14-8-12-20-16(15(14)19)18(10-11-18)22-23(5,6)17(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3.
What are the key properties of tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 353.97 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 174049180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).