N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine

C53H115NO17Si3 — CID 174140987

IUPACN-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine
SMILESCCCCC(CCCC)(CCCC)CN(CCOCCOCCOCCOC)C(CCOCCOCCOCCOC)CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C53H115NO17Si3/c1-15-18-25-53(26-19-16-2,27-20-17-3)50-54(31-33-67-39-41-71-45-43-69-37-35-56-5)51(24-32-66-38-40-70-44-42-68-36-34-55-4)49-52(28-21-46-72(57-6,58-7)59-8,29-22-47-73(60-9,61-10)62-11)30-23-48-74(63-12,64-13)65-14/h51H,15-50H2,1-14H3
InChIKeyXIDBLMAFJWVPSC-UHFFFAOYSA-N
MW1122.75 g/mol
LogP9.35
Rot. Bonds59

About N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine

N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine (PubChem CID 174140987) has the molecular formula C53H115NO17Si3 and a molecular weight of 1122.75 g/mol. Its IUPAC name is N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine.

Molecular Properties

Compound NameN-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine
PubChem CID174140987
Molecular FormulaC53H115NO17Si3
Molecular Weight1122.75 g/mol
Exact Mass1121.75
IUPAC NameN-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine
SMILESCCCCC(CCCC)(CCCC)CN(CCOCCOCCOCCOC)C(CCOCCOCCOCCOC)CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C53H115NO17Si3/c1-15-18-25-53(26-19-16-2,27-20-17-3)50-54(31-33-67-39-41-71-45-43-69-37-35-56-5)51(24-32-66-38-40-70-44-42-68-36-34-55-4)49-52(28-21-46-72(57-6,58-7)59-8,29-22-47-73(60-9,61-10)62-11)30-23-48-74(63-12,64-13)65-14/h51H,15-50H2,1-14H3
InChIKeyXIDBLMAFJWVPSC-UHFFFAOYSA-N
XLogP9.35
TPSA160.15 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds59
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001122.75
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine with MolForge

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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]nonane
CID 150891032
4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol
CID 157238818
2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol
CID 66058911
trimethoxy-[11-(2-methoxyethoxy)undecyl]silane
CID 88574364
trimethoxy-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane
CID 155614579
N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116460
N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide
CID 158282154
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine;pentane
CID 170966597
butoxy-butyl-dimethoxysilane
CID 139714527
butyl-methoxy-dipropoxysilane
CID 18672915
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine?
The IUPAC name of N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine (CID 174140987) is N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine.
What is the SMILES notation for N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine?
The canonical SMILES for N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine is CCCCC(CCCC)(CCCC)CN(CCOCCOCCOCCOC)C(CCOCCOCCOCCOC)CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine?
The InChIKey is XIDBLMAFJWVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H115NO17Si3/c1-15-18-25-53(26-19-16-2,27-20-17-3)50-54(31-33-67-39-41-71-45-43-69-37-35-56-5)51(24-32-66-38-40-70-44-42-68-36-34-55-4)49-52(28-21-46-72(57-6,58-7)59-8,29-22-47-73(60-9,61-10)62-11)30-23-48-74(63-12,64-13)65-14/h51H,15-50H2,1-14H3.
What are the key properties of N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine?
N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine has a molecular weight of 1122.75 g/mol, XLogP of 9.35, 59 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine is sourced from PubChem (CID 174140987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).