3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea

C19H42N2O10Si — CID 87195239

IUPAC3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea
SMILESCOC(C)OC(C)O[Si](CCCNC(N)=O)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C19H42N2O10Si/c1-13(23-7)26-16(4)29-32(12-10-11-21-19(20)22,30-17(5)27-14(2)24-8)31-18(6)28-15(3)25-9/h13-18H,10-12H2,1-9H3,(H3,20,21,22)
InChIKeyNSVTZMAZLJBGEF-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.10
Rot. Bonds19

About 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea

3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea (PubChem CID 87195239) has the molecular formula C19H42N2O10Si and a molecular weight of 486.64 g/mol. Its IUPAC name is 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea.

Molecular Properties

Compound Name3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea
PubChem CID87195239
Molecular FormulaC19H42N2O10Si
Molecular Weight486.64 g/mol
Exact Mass486.26
IUPAC Name3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea
SMILESCOC(C)OC(C)O[Si](CCCNC(N)=O)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C19H42N2O10Si/c1-13(23-7)26-16(4)29-32(12-10-11-21-19(20)22,30-17(5)27-14(2)24-8)31-18(6)28-15(3)25-9/h13-18H,10-12H2,1-9H3,(H3,20,21,22)
InChIKeyNSVTZMAZLJBGEF-UHFFFAOYSA-N
XLogP2.10
TPSA138.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-trimethoxysilylhexylurea
CID 87148927
silane;3-triethoxysilylpropylurea
CID 161180470
3-[tris(1-methoxyethoxy)silyl]propan-1-amine
CID 18398211
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
methyl 2-(3-trimethoxysilylpropylamino)propanoate
CID 90838923
3-methoxypropylurea
CID 2064040
3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea
CID 166059659
4-methylhexylurea
CID 59582725
2-propan-2-yloxyethylurea
CID 22179539
3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
CID 59079127
1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
CID 170548768
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973

Frequently Asked Questions

What is the IUPAC name of 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea?
The IUPAC name of 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea (CID 87195239) is 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea.
What is the SMILES notation for 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea?
The canonical SMILES for 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea is COC(C)OC(C)O[Si](CCCNC(N)=O)(OC(C)OC(C)OC)OC(C)OC(C)OC.
What is the InChIKey of 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea?
The InChIKey is NSVTZMAZLJBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O10Si/c1-13(23-7)26-16(4)29-32(12-10-11-21-19(20)22,30-17(5)27-14(2)24-8)31-18(6)28-15(3)25-9/h13-18H,10-12H2,1-9H3,(H3,20,21,22).
What are the key properties of 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea?
3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea has a molecular weight of 486.64 g/mol, XLogP of 2.10, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris[1-(1-methoxyethoxy)ethoxy]silyl]propylurea is sourced from PubChem (CID 87195239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).