1,1-bis(4-triethoxysilylpentyl)urea

C23H52N2O7Si2 — CID 175197450

IUPAC1,1-bis(4-triethoxysilylpentyl)urea
SMILESCCO[Si](OCC)(OCC)C(C)CCCN(CCCC(C)[Si](OCC)(OCC)OCC)C(N)=O
InChIInChI=1S/C23H52N2O7Si2/c1-9-27-33(28-10-2,29-11-3)21(7)17-15-19-25(23(24)26)20-16-18-22(8)34(30-12-4,31-13-5)32-14-6/h21-22H,9-20H2,1-8H3,(H2,24,26)
InChIKeyZMFFQACIXLWVQW-UHFFFAOYSA-N
MW524.85 g/mol
LogP4.80
Rot. Bonds22

About 1,1-bis(4-triethoxysilylpentyl)urea

1,1-bis(4-triethoxysilylpentyl)urea (PubChem CID 175197450) has the molecular formula C23H52N2O7Si2 and a molecular weight of 524.85 g/mol. Its IUPAC name is 1,1-bis(4-triethoxysilylpentyl)urea.

Molecular Properties

Compound Name1,1-bis(4-triethoxysilylpentyl)urea
PubChem CID175197450
Molecular FormulaC23H52N2O7Si2
Molecular Weight524.85 g/mol
Exact Mass524.33
IUPAC Name1,1-bis(4-triethoxysilylpentyl)urea
SMILESCCO[Si](OCC)(OCC)C(C)CCCN(CCCC(C)[Si](OCC)(OCC)OCC)C(N)=O
InChIInChI=1S/C23H52N2O7Si2/c1-9-27-33(28-10-2,29-11-3)21(7)17-15-19-25(23(24)26)20-16-18-22(8)34(30-12-4,31-13-5)32-14-6/h21-22H,9-20H2,1-8H3,(H2,24,26)
InChIKeyZMFFQACIXLWVQW-UHFFFAOYSA-N
XLogP4.80
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271
1-hexyl-1-(3-methylbutyl)urea
CID 173062711
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-butyl-1-dodecylurea
CID 168918855
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840
2-methyl-N-[4-[N-(3-triethoxysilylbutyl)anilino]phenyl]prop-2-enamide;hydrobromide
CID 18920593
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
2-triethoxysilylpropanoate
CID 22068871
octyl 2-triethoxysilylpropanoate
CID 141314652
ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-triethoxysilylpentyl)urea?
The IUPAC name of 1,1-bis(4-triethoxysilylpentyl)urea (CID 175197450) is 1,1-bis(4-triethoxysilylpentyl)urea.
What is the SMILES notation for 1,1-bis(4-triethoxysilylpentyl)urea?
The canonical SMILES for 1,1-bis(4-triethoxysilylpentyl)urea is CCO[Si](OCC)(OCC)C(C)CCCN(CCCC(C)[Si](OCC)(OCC)OCC)C(N)=O.
What is the InChIKey of 1,1-bis(4-triethoxysilylpentyl)urea?
The InChIKey is ZMFFQACIXLWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52N2O7Si2/c1-9-27-33(28-10-2,29-11-3)21(7)17-15-19-25(23(24)26)20-16-18-22(8)34(30-12-4,31-13-5)32-14-6/h21-22H,9-20H2,1-8H3,(H2,24,26).
What are the key properties of 1,1-bis(4-triethoxysilylpentyl)urea?
1,1-bis(4-triethoxysilylpentyl)urea has a molecular weight of 524.85 g/mol, XLogP of 4.80, 22 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-triethoxysilylpentyl)urea is sourced from PubChem (CID 175197450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).