butylurea;silicic acid

C5H16N2O5Si — CID 86735760

IUPACbutylurea;silicic acid
SMILESCCCCNC(N)=O.O[Si](O)(O)O
InChIInChI=1S/C5H12N2O.H4O4Si/c1-2-3-4-7-5(6)8;1-5(2,3)4/h2-4H2,1H3,(H3,6,7,8);1-4H
InChIKeyGYWGUUBWKWUWAU-UHFFFAOYSA-N
MW212.28 g/mol
LogP-2.15
Rot. Bonds3

About butylurea;silicic acid

butylurea;silicic acid (PubChem CID 86735760) has the molecular formula C5H16N2O5Si and a molecular weight of 212.28 g/mol. Its IUPAC name is butylurea;silicic acid.

Molecular Properties

Compound Namebutylurea;silicic acid
PubChem CID86735760
Molecular FormulaC5H16N2O5Si
Molecular Weight212.28 g/mol
Exact Mass212.08
IUPAC Namebutylurea;silicic acid
SMILESCCCCNC(N)=O.O[Si](O)(O)O
InChIInChI=1S/C5H12N2O.H4O4Si/c1-2-3-4-7-5(6)8;1-5(2,3)4/h2-4H2,1H3,(H3,6,7,8);1-4H
InChIKeyGYWGUUBWKWUWAU-UHFFFAOYSA-N
XLogP-2.15
TPSA136.04 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.28
LogP ≤ 5-2.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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

pentylurea;hydrate
CID 172845599
3-butoxypropylurea
CID 115575573
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
3-(carbamoylamino)propyl trihexyl silicate
CID 175544695
butylurea;2-methylaniline
CID 175391906
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
3-trifluorosilylpropylurea
CID 174136032
silane;3-triethoxysilylpropylurea
CID 161180470
N'-butylbutanediamide
CID 12550556
[3-(butylamino)-2,2-dimethylpropyl]urea
CID 22381207
3-chloropropylurea
CID 6421120

Frequently Asked Questions

What is the IUPAC name of butylurea;silicic acid?
The IUPAC name of butylurea;silicic acid (CID 86735760) is butylurea;silicic acid.
What is the SMILES notation for butylurea;silicic acid?
The canonical SMILES for butylurea;silicic acid is CCCCNC(N)=O.O[Si](O)(O)O.
What is the InChIKey of butylurea;silicic acid?
The InChIKey is GYWGUUBWKWUWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.H4O4Si/c1-2-3-4-7-5(6)8;1-5(2,3)4/h2-4H2,1H3,(H3,6,7,8);1-4H.
What are the key properties of butylurea;silicic acid?
butylurea;silicic acid has a molecular weight of 212.28 g/mol, XLogP of -2.15, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butylurea;silicic acid is sourced from PubChem (CID 86735760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).