2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane

C64H155NO12Si4 — CID 158022412

IUPAC2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)[Si](C)(C)OCCOCC(COCCO[Si](C)(C)C(C)(C)C)OCCOCCNCc1ccc(COCCOC(COCCO[Si](C)(C)C(C)(C)C)COCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C52H107NO12Si4.12CH4/c1-49(2,3)66(13,14)62-35-29-56-41-47(42-57-30-36-63-67(15,16)50(4,5)6)60-33-27-54-26-25-53-39-45-21-23-46(24-22-45)40-55-28-34-61-48(43-58-31-37-64-68(17,18)51(7,8)9)44-59-32-38-65-69(19,20)52(10,11)12;;;;;;;;;;;;/h21-24,47-48,53H,25-44H2,1-20H3;12*1H4
InChIKeyFGFCUEKXIZGCQB-UHFFFAOYSA-N
MW1243.28 g/mol
LogP18.87
Rot. Bonds39

About 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane

2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane (PubChem CID 158022412) has the molecular formula C64H155NO12Si4 and a molecular weight of 1243.28 g/mol. Its IUPAC name is 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane.

Molecular Properties

Compound Name2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane
PubChem CID158022412
Molecular FormulaC64H155NO12Si4
Molecular Weight1243.28 g/mol
Exact Mass1242.06
IUPAC Name2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)[Si](C)(C)OCCOCC(COCCO[Si](C)(C)C(C)(C)C)OCCOCCNCc1ccc(COCCOC(COCCO[Si](C)(C)C(C)(C)C)COCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C52H107NO12Si4.12CH4/c1-49(2,3)66(13,14)62-35-29-56-41-47(42-57-30-36-63-67(15,16)50(4,5)6)60-33-27-54-26-25-53-39-45-21-23-46(24-22-45)40-55-28-34-61-48(43-58-31-37-64-68(17,18)51(7,8)9)44-59-32-38-65-69(19,20)52(10,11)12;;;;;;;;;;;;/h21-24,47-48,53H,25-44H2,1-20H3;12*1H4
InChIKeyFGFCUEKXIZGCQB-UHFFFAOYSA-N
XLogP18.87
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.28
LogP ≤ 518.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane with MolForge

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine
CID 174011188
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
CID 62455416
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane?
The IUPAC name of 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane (CID 158022412) is 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane.
What is the SMILES notation for 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane?
The canonical SMILES for 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)[Si](C)(C)OCCOCC(COCCO[Si](C)(C)C(C)(C)C)OCCOCCNCc1ccc(COCCOC(COCCO[Si](C)(C)C(C)(C)C)COCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane?
The InChIKey is FGFCUEKXIZGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H107NO12Si4.12CH4/c1-49(2,3)66(13,14)62-35-29-56-41-47(42-57-30-36-63-67(15,16)50(4,5)6)60-33-27-54-26-25-53-39-45-21-23-46(24-22-45)40-55-28-34-61-48(43-58-31-37-64-68(17,18)51(7,8)9)44-59-32-38-65-69(19,20)52(10,11)12;;;;;;;;;;;;/h21-24,47-48,53H,25-44H2,1-20H3;12*1H4.
What are the key properties of 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane?
2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane has a molecular weight of 1243.28 g/mol, XLogP of 18.87, 39 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane is sourced from PubChem (CID 158022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).