1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea

C19H44N2O7Si2 — CID 173175803

IUPAC1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea
SMILESCCOC(C[SiH3])C(OCC)(OCC)N(C(N)=O)C(OCC)(OCC)C(C[SiH3])OCC
InChIInChI=1S/C19H44N2O7Si2/c1-7-23-15(13-29)18(25-9-3,26-10-4)21(17(20)22)19(27-11-5,28-12-6)16(14-30)24-8-2/h15-16H,7-14H2,1-6,29-30H3,(H2,20,22)
InChIKeyQQUDMRLFPHGKLG-UHFFFAOYSA-N
MW468.74 g/mol
LogP0.20
Rot. Bonds18

About 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea

1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea (PubChem CID 173175803) has the molecular formula C19H44N2O7Si2 and a molecular weight of 468.74 g/mol. Its IUPAC name is 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea.

Molecular Properties

Compound Name1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea
PubChem CID173175803
Molecular FormulaC19H44N2O7Si2
Molecular Weight468.74 g/mol
Exact Mass468.27
IUPAC Name1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea
SMILESCCOC(C[SiH3])C(OCC)(OCC)N(C(N)=O)C(OCC)(OCC)C(C[SiH3])OCC
InChIInChI=1S/C19H44N2O7Si2/c1-7-23-15(13-29)18(25-9-3,26-10-4)21(17(20)22)19(27-11-5,28-12-6)16(14-30)24-8-2/h15-16H,7-14H2,1-6,29-30H3,(H2,20,22)
InChIKeyQQUDMRLFPHGKLG-UHFFFAOYSA-N
XLogP0.20
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.74
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-methoxyacetamide
CID 54503538
1,1,2-triethoxyheptoxycarbonyloxy 1,1,2-triethoxyheptyl carbonate
CID 88505275
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176
2-ethoxy-2-hydroxypropanediamide
CID 45122517
3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione
CID 173389206
1-ethynyl-1-(triethoxymethyl)urea
CID 175486444
1-(diethoxymethyl)-1-ethynylurea
CID 175486448
1,1,2-triethoxypentan-1-ol
CID 87881189
(3-bromo-1,1,2-triethoxypropyl)silane
CID 123303105
(3-chloro-1,1,2-triethoxypropyl)silane
CID 174751331
2,2-diethoxyacetate
CID 22600241
lithium;2,2-diethoxyacetic acid;2-methylpropane
CID 158199649

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea?
The IUPAC name of 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea (CID 173175803) is 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea.
What is the SMILES notation for 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea?
The canonical SMILES for 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea is CCOC(C[SiH3])C(OCC)(OCC)N(C(N)=O)C(OCC)(OCC)C(C[SiH3])OCC.
What is the InChIKey of 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea?
The InChIKey is QQUDMRLFPHGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N2O7Si2/c1-7-23-15(13-29)18(25-9-3,26-10-4)21(17(20)22)19(27-11-5,28-12-6)16(14-30)24-8-2/h15-16H,7-14H2,1-6,29-30H3,(H2,20,22).
What are the key properties of 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea?
1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea has a molecular weight of 468.74 g/mol, XLogP of 0.20, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea is sourced from PubChem (CID 173175803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).