1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea

C9H22N2O3Si — CID 123494391

IUPAC1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea
SMILESC[SiH2]CCCNC(=O)N(CCO)CCO
InChIInChI=1S/C9H22N2O3Si/c1-15-8-2-3-10-9(14)11(4-6-12)5-7-13/h12-13H,2-8,15H2,1H3,(H,10,14)
InChIKeyDKPYQPOUMBXYPN-UHFFFAOYSA-N
MW234.37 g/mol
LogP-0.99
Rot. Bonds8

About 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea

1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea (PubChem CID 123494391) has the molecular formula C9H22N2O3Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea
PubChem CID123494391
Molecular FormulaC9H22N2O3Si
Molecular Weight234.37 g/mol
Exact Mass234.14
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea
SMILESC[SiH2]CCCNC(=O)N(CCO)CCO
InChIInChI=1S/C9H22N2O3Si/c1-15-8-2-3-10-9(14)11(4-6-12)5-7-13/h12-13H,2-8,15H2,1H3,(H,10,14)
InChIKeyDKPYQPOUMBXYPN-UHFFFAOYSA-N
XLogP-0.99
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
CID 61425538
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189
1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883758
1,1,3-tri(undecyl)urea
CID 168918847
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
methane;1,1,3-trioctylurea
CID 163789497
1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 15541416
1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874492

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea (CID 123494391) is 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea is C[SiH2]CCCNC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea?
The InChIKey is DKPYQPOUMBXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3Si/c1-15-8-2-3-10-9(14)11(4-6-12)5-7-13/h12-13H,2-8,15H2,1H3,(H,10,14).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea?
1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea has a molecular weight of 234.37 g/mol, XLogP of -0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(3-methylsilylpropyl)urea is sourced from PubChem (CID 123494391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).