3-[methyl-di(propan-2-yloxy)silyl]propylurea

C11H26N2O3Si — CID 141215965

IUPAC3-[methyl-di(propan-2-yloxy)silyl]propylurea
SMILESCC(C)O[Si](C)(CCCNC(N)=O)OC(C)C
InChIInChI=1S/C11H26N2O3Si/c1-9(2)15-17(5,16-10(3)4)8-6-7-13-11(12)14/h9-10H,6-8H2,1-5H3,(H3,12,13,14)
InChIKeyILVAMUWOXXFSBI-UHFFFAOYSA-N
MW262.43 g/mol
LogP1.97
Rot. Bonds8

About 3-[methyl-di(propan-2-yloxy)silyl]propylurea

3-[methyl-di(propan-2-yloxy)silyl]propylurea (PubChem CID 141215965) has the molecular formula C11H26N2O3Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 3-[methyl-di(propan-2-yloxy)silyl]propylurea.

Molecular Properties

Compound Name3-[methyl-di(propan-2-yloxy)silyl]propylurea
PubChem CID141215965
Molecular FormulaC11H26N2O3Si
Molecular Weight262.43 g/mol
Exact Mass262.17
IUPAC Name3-[methyl-di(propan-2-yloxy)silyl]propylurea
SMILESCC(C)O[Si](C)(CCCNC(N)=O)OC(C)C
InChIInChI=1S/C11H26N2O3Si/c1-9(2)15-17(5,16-10(3)4)8-6-7-13-11(12)14/h9-10H,6-8H2,1-5H3,(H3,12,13,14)
InChIKeyILVAMUWOXXFSBI-UHFFFAOYSA-N
XLogP1.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 51.97
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-di(propan-2-yloxy)silyl]propylurea?
The IUPAC name of 3-[methyl-di(propan-2-yloxy)silyl]propylurea (CID 141215965) is 3-[methyl-di(propan-2-yloxy)silyl]propylurea.
What is the SMILES notation for 3-[methyl-di(propan-2-yloxy)silyl]propylurea?
The canonical SMILES for 3-[methyl-di(propan-2-yloxy)silyl]propylurea is CC(C)O[Si](C)(CCCNC(N)=O)OC(C)C.
What is the InChIKey of 3-[methyl-di(propan-2-yloxy)silyl]propylurea?
The InChIKey is ILVAMUWOXXFSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3Si/c1-9(2)15-17(5,16-10(3)4)8-6-7-13-11(12)14/h9-10H,6-8H2,1-5H3,(H3,12,13,14).
What are the key properties of 3-[methyl-di(propan-2-yloxy)silyl]propylurea?
3-[methyl-di(propan-2-yloxy)silyl]propylurea has a molecular weight of 262.43 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-di(propan-2-yloxy)silyl]propylurea is sourced from PubChem (CID 141215965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).