tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol

C18H42Cl2O7Si — CID 158935476

IUPACtert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol
SMILESCC(C)(C)[Si](C)(C)OCCOCCCl.OCCOCCCl.OCCOCCO
InChIInChI=1S/C10H23ClO2Si.C4H9ClO2.C4H10O3/c1-10(2,3)14(4,5)13-9-8-12-7-6-11;2*5-1-3-7-4-2-6/h6-9H2,1-5H3;6H,1-4H2;5-6H,1-4H2
InChIKeyJJOZWMQAFMWQCB-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.49
Rot. Bonds14

About tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol

tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol (PubChem CID 158935476) has the molecular formula C18H42Cl2O7Si and a molecular weight of 469.52 g/mol. Its IUPAC name is tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Nametert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol
PubChem CID158935476
Molecular FormulaC18H42Cl2O7Si
Molecular Weight469.52 g/mol
Exact Mass468.21
IUPAC Nametert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol
SMILESCC(C)(C)[Si](C)(C)OCCOCCCl.OCCOCCCl.OCCOCCO
InChIInChI=1S/C10H23ClO2Si.C4H9ClO2.C4H10O3/c1-10(2,3)14(4,5)13-9-8-12-7-6-11;2*5-1-3-7-4-2-6/h6-9H2,1-5H3;6H,1-4H2;5-6H,1-4H2
InChIKeyJJOZWMQAFMWQCB-UHFFFAOYSA-N
XLogP2.49
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 87306922
24-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19,22-heptaoxa-3-silatetracosane
CID 140911959
Tert-butyl-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane;2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 158402595
Tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol
CID 160296842
18-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16-pentaoxa-3-silaoctadecane
CID 178214314
21-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19-hexaoxa-3-silahenicosane
CID 178214315
27-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19,22,25-octaoxa-3-silaheptacosane
CID 178214316
30-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19,22,25,28-nonaoxa-3-silatriacontane
CID 178214317
33-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19,22,25,28,31-decaoxa-3-silatritriacontane
CID 178214318
36-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxa-3-silahexatriacontane
CID 178214319
39-Chloro-2,2,3,3-tetramethyl-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxa-3-silanonatriacontane
CID 178214320

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol (CID 158935476) is tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol is CC(C)(C)[Si](C)(C)OCCOCCCl.OCCOCCCl.OCCOCCO.
What is the InChIKey of tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol?
The InChIKey is JJOZWMQAFMWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClO2Si.C4H9ClO2.C4H10O3/c1-10(2,3)14(4,5)13-9-8-12-7-6-11;2*5-1-3-7-4-2-6/h6-9H2,1-5H3;6H,1-4H2;5-6H,1-4H2.
What are the key properties of tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol?
tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol has a molecular weight of 469.52 g/mol, XLogP of 2.49, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 158935476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).