3-(1,1-diethoxypropylsilyl)propylurea

C11H26N2O3Si — CID 175352143

IUPAC3-(1,1-diethoxypropylsilyl)propylurea
SMILESCCOC(CC)(OCC)[SiH2]CCCNC(N)=O
InChIInChI=1S/C11H26N2O3Si/c1-4-11(15-5-2,16-6-3)17-9-7-8-13-10(12)14/h4-9,17H2,1-3H3,(H3,12,13,14)
InChIKeyPDKKBZVOAVUNCN-UHFFFAOYSA-N
MW262.43 g/mol
LogP0.77
Rot. Bonds10

About 3-(1,1-diethoxypropylsilyl)propylurea

3-(1,1-diethoxypropylsilyl)propylurea (PubChem CID 175352143) has the molecular formula C11H26N2O3Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 3-(1,1-diethoxypropylsilyl)propylurea.

Molecular Properties

Compound Name3-(1,1-diethoxypropylsilyl)propylurea
PubChem CID175352143
Molecular FormulaC11H26N2O3Si
Molecular Weight262.43 g/mol
Exact Mass262.17
IUPAC Name3-(1,1-diethoxypropylsilyl)propylurea
SMILESCCOC(CC)(OCC)[SiH2]CCCNC(N)=O
InChIInChI=1S/C11H26N2O3Si/c1-4-11(15-5-2,16-6-3)17-9-7-8-13-10(12)14/h4-9,17H2,1-3H3,(H3,12,13,14)
InChIKeyPDKKBZVOAVUNCN-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
silane;3-triethoxysilylpropylurea
CID 161180470
butylurea;silicic acid
CID 86735760
(4,4,4-triethoxy-3-methylbutyl)urea
CID 150562365
3-(3,3-diethoxypropoxysilyl)propylurea
CID 154499859
3-[[(diethoxyamino)-oxosilyl]-ethoxyamino]silylpropylurea
CID 158983224
pentylurea;hydrate
CID 172845599
(4,4-diethoxy-3-methylpentyl)urea
CID 150757401
3-methoxypropylurea
CID 2064040
3-butoxypropylurea
CID 115575573
6-trimethoxysilylhexylurea
CID 87148927
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-diethoxypropylsilyl)propylurea?
The IUPAC name of 3-(1,1-diethoxypropylsilyl)propylurea (CID 175352143) is 3-(1,1-diethoxypropylsilyl)propylurea.
What is the SMILES notation for 3-(1,1-diethoxypropylsilyl)propylurea?
The canonical SMILES for 3-(1,1-diethoxypropylsilyl)propylurea is CCOC(CC)(OCC)[SiH2]CCCNC(N)=O.
What is the InChIKey of 3-(1,1-diethoxypropylsilyl)propylurea?
The InChIKey is PDKKBZVOAVUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3Si/c1-4-11(15-5-2,16-6-3)17-9-7-8-13-10(12)14/h4-9,17H2,1-3H3,(H3,12,13,14).
What are the key properties of 3-(1,1-diethoxypropylsilyl)propylurea?
3-(1,1-diethoxypropylsilyl)propylurea has a molecular weight of 262.43 g/mol, XLogP of 0.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diethoxypropylsilyl)propylurea is sourced from PubChem (CID 175352143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).