1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea

C15H36N2O5Si2 — CID 154402509

IUPAC1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea
SMILESCOC(C[SiH2]CCCNC(=O)NCCC[SiH2]CC(OC)OC)OC
InChIInChI=1S/C15H36N2O5Si2/c1-19-13(20-2)11-23-9-5-7-16-15(18)17-8-6-10-24-12-14(21-3)22-4/h13-14H,5-12,23-24H2,1-4H3,(H2,16,17,18)
InChIKeyGJXJKDHPFKCGFF-UHFFFAOYSA-N
MW380.63 g/mol
LogP0.31
Rot. Bonds16

About 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea

1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea (PubChem CID 154402509) has the molecular formula C15H36N2O5Si2 and a molecular weight of 380.63 g/mol. Its IUPAC name is 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea.

Molecular Properties

Compound Name1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea
PubChem CID154402509
Molecular FormulaC15H36N2O5Si2
Molecular Weight380.63 g/mol
Exact Mass380.22
IUPAC Name1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea
SMILESCOC(C[SiH2]CCCNC(=O)NCCC[SiH2]CC(OC)OC)OC
InChIInChI=1S/C15H36N2O5Si2/c1-19-13(20-2)11-23-9-5-7-16-15(18)17-8-6-10-24-12-14(21-3)22-4/h13-14H,5-12,23-24H2,1-4H3,(H2,16,17,18)
InChIKeyGJXJKDHPFKCGFF-UHFFFAOYSA-N
XLogP0.31
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea?
The IUPAC name of 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea (CID 154402509) is 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea.
What is the SMILES notation for 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea?
The canonical SMILES for 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea is COC(C[SiH2]CCCNC(=O)NCCC[SiH2]CC(OC)OC)OC.
What is the InChIKey of 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea?
The InChIKey is GJXJKDHPFKCGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N2O5Si2/c1-19-13(20-2)11-23-9-5-7-16-15(18)17-8-6-10-24-12-14(21-3)22-4/h13-14H,5-12,23-24H2,1-4H3,(H2,16,17,18).
What are the key properties of 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea?
1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea has a molecular weight of 380.63 g/mol, XLogP of 0.31, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(2,2-dimethoxyethylsilyl)propyl]urea is sourced from PubChem (CID 154402509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).