(2-methyl-5-triethoxysilylpentan-2-yl)urea

C13H30N2O4Si — CID 87282445

IUPAC(2-methyl-5-triethoxysilylpentan-2-yl)urea
SMILESCCO[Si](CCCC(C)(C)NC(N)=O)(OCC)OCC
InChIInChI=1S/C13H30N2O4Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-13(4,5)15-12(14)16/h6-11H2,1-5H3,(H3,14,15,16)
InChIKeyHRJUAAMKRJYKHV-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.26
Rot. Bonds11

About (2-methyl-5-triethoxysilylpentan-2-yl)urea

(2-methyl-5-triethoxysilylpentan-2-yl)urea (PubChem CID 87282445) has the molecular formula C13H30N2O4Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2-methyl-5-triethoxysilylpentan-2-yl)urea.

Molecular Properties

Compound Name(2-methyl-5-triethoxysilylpentan-2-yl)urea
PubChem CID87282445
Molecular FormulaC13H30N2O4Si
Molecular Weight306.48 g/mol
Exact Mass306.20
IUPAC Name(2-methyl-5-triethoxysilylpentan-2-yl)urea
SMILESCCO[Si](CCCC(C)(C)NC(N)=O)(OCC)OCC
InChIInChI=1S/C13H30N2O4Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-13(4,5)15-12(14)16/h6-11H2,1-5H3,(H3,14,15,16)
InChIKeyHRJUAAMKRJYKHV-UHFFFAOYSA-N
XLogP2.26
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

silane;3-triethoxysilylpropylurea
CID 161180470
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
3,3-bis(3-triethoxysilylpropyl)pentanebis(thioic S-acid)
CID 162187678
1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
CID 140847718
[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate
CID 54112188
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
1-triethoxysilylheptan-4-ylurea
CID 87656666
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
carbamic acid;triethoxy(propyl)silane
CID 175441799
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-triethoxysilylpentan-2-yl)urea?
The IUPAC name of (2-methyl-5-triethoxysilylpentan-2-yl)urea (CID 87282445) is (2-methyl-5-triethoxysilylpentan-2-yl)urea.
What is the SMILES notation for (2-methyl-5-triethoxysilylpentan-2-yl)urea?
The canonical SMILES for (2-methyl-5-triethoxysilylpentan-2-yl)urea is CCO[Si](CCCC(C)(C)NC(N)=O)(OCC)OCC.
What is the InChIKey of (2-methyl-5-triethoxysilylpentan-2-yl)urea?
The InChIKey is HRJUAAMKRJYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-13(4,5)15-12(14)16/h6-11H2,1-5H3,(H3,14,15,16).
What are the key properties of (2-methyl-5-triethoxysilylpentan-2-yl)urea?
(2-methyl-5-triethoxysilylpentan-2-yl)urea has a molecular weight of 306.48 g/mol, XLogP of 2.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-triethoxysilylpentan-2-yl)urea is sourced from PubChem (CID 87282445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).