1-diethoxysilylbutylurea

C9H22N2O3Si — CID 173025358

IUPAC1-diethoxysilylbutylurea
SMILESCCCC(NC(N)=O)[SiH](OCC)OCC
InChIInChI=1S/C9H22N2O3Si/c1-4-7-8(11-9(10)12)15(13-5-2)14-6-3/h8,15H,4-7H2,1-3H3,(H3,10,11,12)
InChIKeyIEDDRLUQKWOIBI-UHFFFAOYSA-N
MW234.37 g/mol
LogP0.66
Rot. Bonds8

About 1-diethoxysilylbutylurea

1-diethoxysilylbutylurea (PubChem CID 173025358) has the molecular formula C9H22N2O3Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-diethoxysilylbutylurea.

Molecular Properties

Compound Name1-diethoxysilylbutylurea
PubChem CID173025358
Molecular FormulaC9H22N2O3Si
Molecular Weight234.37 g/mol
Exact Mass234.14
IUPAC Name1-diethoxysilylbutylurea
SMILESCCCC(NC(N)=O)[SiH](OCC)OCC
InChIInChI=1S/C9H22N2O3Si/c1-4-7-8(11-9(10)12)15(13-5-2)14-6-3/h8,15H,4-7H2,1-3H3,(H3,10,11,12)
InChIKeyIEDDRLUQKWOIBI-UHFFFAOYSA-N
XLogP0.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
CID 92527887
N-(1-diethoxysilylpentyl)benzamide
CID 173241563
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
(1-hydroxy-2-methylpentyl)urea
CID 16722700
hexan-3-ylurea;molecular hydrogen
CID 143768672
diethyl 2-(2-propylpentanoylamino)propanedioate
CID 82989756
1-phenylbutylurea
CID 2852079
1-triethoxysilylheptan-4-ylurea
CID 87656666
ethene;ethyl 2-propylpentanoate
CID 160741230
N'-pentan-2-ylpropanediamide
CID 88934201
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
N-ethoxy-2-propylpentanamide
CID 115532275

Frequently Asked Questions

What is the IUPAC name of 1-diethoxysilylbutylurea?
The IUPAC name of 1-diethoxysilylbutylurea (CID 173025358) is 1-diethoxysilylbutylurea.
What is the SMILES notation for 1-diethoxysilylbutylurea?
The canonical SMILES for 1-diethoxysilylbutylurea is CCCC(NC(N)=O)[SiH](OCC)OCC.
What is the InChIKey of 1-diethoxysilylbutylurea?
The InChIKey is IEDDRLUQKWOIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3Si/c1-4-7-8(11-9(10)12)15(13-5-2)14-6-3/h8,15H,4-7H2,1-3H3,(H3,10,11,12).
What are the key properties of 1-diethoxysilylbutylurea?
1-diethoxysilylbutylurea has a molecular weight of 234.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxysilylbutylurea is sourced from PubChem (CID 173025358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).