1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea

C26H58N4O8Si2 — CID 87657796

IUPAC1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
SMILESCCO[Si](CCCNC(=O)NCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C26H58N4O8Si2/c1-7-33-39(34-8-2,35-9-3)23-17-21-29-25(31)27-19-15-13-14-16-20-28-26(32)30-22-18-24-40(36-10-4,37-11-5)38-12-6/h7-24H2,1-6H3,(H2,27,29,31)(H2,28,30,32)
InChIKeyUOOOGHRJGWPZBF-UHFFFAOYSA-N
MW610.94 g/mol
LogP4.02
Rot. Bonds27

About 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea

1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea (PubChem CID 87657796) has the molecular formula C26H58N4O8Si2 and a molecular weight of 610.94 g/mol. Its IUPAC name is 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea.

Molecular Properties

Compound Name1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
PubChem CID87657796
Molecular FormulaC26H58N4O8Si2
Molecular Weight610.94 g/mol
Exact Mass610.38
IUPAC Name1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
SMILESCCO[Si](CCCNC(=O)NCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C26H58N4O8Si2/c1-7-33-39(34-8-2,35-9-3)23-17-21-29-25(31)27-19-15-13-14-16-20-28-26(32)30-22-18-24-40(36-10-4,37-11-5)38-12-6/h7-24H2,1-6H3,(H2,27,29,31)(H2,28,30,32)
InChIKeyUOOOGHRJGWPZBF-UHFFFAOYSA-N
XLogP4.02
TPSA137.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.94
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
1-(3-triethoxysilylpropyl)-3-[6-[2,4,6-trioxo-3,5-bis[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]-1,3,5-triazinan-1-yl]hexyl]urea
CID 100991329
CID 102321543
CID 102321543
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
CID 58571374
1-(3-triethoxysilylpropyl)-3-[(3-triethoxysilylpropylcarbamoylamino)carbamothioylamino]urea
CID 102174342
silane;3-triethoxysilylpropylurea
CID 161180470
1,3-bis(4-tripropoxysilylbutyl)urea
CID 170548769
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615

Frequently Asked Questions

What is the IUPAC name of 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea?
The IUPAC name of 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea (CID 87657796) is 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea.
What is the SMILES notation for 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea?
The canonical SMILES for 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea is CCO[Si](CCCNC(=O)NCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea?
The InChIKey is UOOOGHRJGWPZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N4O8Si2/c1-7-33-39(34-8-2,35-9-3)23-17-21-29-25(31)27-19-15-13-14-16-20-28-26(32)30-22-18-24-40(36-10-4,37-11-5)38-12-6/h7-24H2,1-6H3,(H2,27,29,31)(H2,28,30,32).
What are the key properties of 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea?
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea has a molecular weight of 610.94 g/mol, XLogP of 4.02, 27 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea is sourced from PubChem (CID 87657796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).