1-triethoxysilylheptan-4-ylurea

C14H32N2O4Si — CID 87656666

IUPAC1-triethoxysilylheptan-4-ylurea
SMILESCCCC(CCC[Si](OCC)(OCC)OCC)NC(N)=O
InChIInChI=1S/C14H32N2O4Si/c1-5-10-13(16-14(15)17)11-9-12-21(18-6-2,19-7-3)20-8-4/h13H,5-12H2,1-4H3,(H3,15,16,17)
InChIKeyFGPVGIPTPIZXQX-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.65
Rot. Bonds13

About 1-triethoxysilylheptan-4-ylurea

1-triethoxysilylheptan-4-ylurea (PubChem CID 87656666) has the molecular formula C14H32N2O4Si and a molecular weight of 320.51 g/mol. Its IUPAC name is 1-triethoxysilylheptan-4-ylurea.

Molecular Properties

Compound Name1-triethoxysilylheptan-4-ylurea
PubChem CID87656666
Molecular FormulaC14H32N2O4Si
Molecular Weight320.51 g/mol
Exact Mass320.21
IUPAC Name1-triethoxysilylheptan-4-ylurea
SMILESCCCC(CCC[Si](OCC)(OCC)OCC)NC(N)=O
InChIInChI=1S/C14H32N2O4Si/c1-5-10-13(16-14(15)17)11-9-12-21(18-6-2,19-7-3)20-8-4/h13H,5-12H2,1-4H3,(H3,15,16,17)
InChIKeyFGPVGIPTPIZXQX-UHFFFAOYSA-N
XLogP2.65
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-triethoxysilylheptan-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
silane;3-triethoxysilylpropylurea
CID 161180470
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
1-(carbamoylamino)octan-3-ylurea
CID 154304190
hexan-3-ylurea;molecular hydrogen
CID 143768672
carbamic acid;triethoxy(propyl)silane
CID 175441799
(2-hydroxy-6-triethoxysilylhexyl) carbamate
CID 154262289
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid
CID 87070086
1,6-bis(carbamoylamino)hexan-3-ylurea
CID 154154263

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylheptan-4-ylurea?
The IUPAC name of 1-triethoxysilylheptan-4-ylurea (CID 87656666) is 1-triethoxysilylheptan-4-ylurea.
What is the SMILES notation for 1-triethoxysilylheptan-4-ylurea?
The canonical SMILES for 1-triethoxysilylheptan-4-ylurea is CCCC(CCC[Si](OCC)(OCC)OCC)NC(N)=O.
What is the InChIKey of 1-triethoxysilylheptan-4-ylurea?
The InChIKey is FGPVGIPTPIZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4Si/c1-5-10-13(16-14(15)17)11-9-12-21(18-6-2,19-7-3)20-8-4/h13H,5-12H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-triethoxysilylheptan-4-ylurea?
1-triethoxysilylheptan-4-ylurea has a molecular weight of 320.51 g/mol, XLogP of 2.65, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylheptan-4-ylurea is sourced from PubChem (CID 87656666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).