ethyl-(2-isocyanatoethyl)-dipropoxysilane

C11H23NO3Si — CID 142701820

IUPACethyl-(2-isocyanatoethyl)-dipropoxysilane
SMILESCCCO[Si](CC)(CCN=C=O)OCCC
InChIInChI=1S/C11H23NO3Si/c1-4-8-14-16(6-3,15-9-5-2)10-7-12-11-13/h4-10H2,1-3H3
InChIKeyAKYNPBFHVPQNPS-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.64
Rot. Bonds10

About ethyl-(2-isocyanatoethyl)-dipropoxysilane

ethyl-(2-isocyanatoethyl)-dipropoxysilane (PubChem CID 142701820) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is ethyl-(2-isocyanatoethyl)-dipropoxysilane.

Molecular Properties

Compound Nameethyl-(2-isocyanatoethyl)-dipropoxysilane
PubChem CID142701820
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Nameethyl-(2-isocyanatoethyl)-dipropoxysilane
SMILESCCCO[Si](CC)(CCN=C=O)OCCC
InChIInChI=1S/C11H23NO3Si/c1-4-8-14-16(6-3,15-9-5-2)10-7-12-11-13/h4-10H2,1-3H3
InChIKeyAKYNPBFHVPQNPS-UHFFFAOYSA-N
XLogP2.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze ethyl-(2-isocyanatoethyl)-dipropoxysilane 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

ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
triethyl(2-isocyanatoethyl)silane
CID 87128357
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
CID 18620385
ethyl-hexadecyl-dipropoxysilane
CID 22228686
ethyl-[[ethyl(dipropoxy)silyl]methyl]-dipropoxysilane
CID 87143890
ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
butyl-(3-isocyanatopropyl)-dimethoxysilane
CID 140798796
4-chlorobutyl-ethyl-dipropoxysilane
CID 142729339
1-isocyanato-7-propoxyheptane
CID 155127883
hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278
2-isocyanatoethyl-dimethyl-silyloxysilane
CID 123530793

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-isocyanatoethyl)-dipropoxysilane?
The IUPAC name of ethyl-(2-isocyanatoethyl)-dipropoxysilane (CID 142701820) is ethyl-(2-isocyanatoethyl)-dipropoxysilane.
What is the SMILES notation for ethyl-(2-isocyanatoethyl)-dipropoxysilane?
The canonical SMILES for ethyl-(2-isocyanatoethyl)-dipropoxysilane is CCCO[Si](CC)(CCN=C=O)OCCC.
What is the InChIKey of ethyl-(2-isocyanatoethyl)-dipropoxysilane?
The InChIKey is AKYNPBFHVPQNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-4-8-14-16(6-3,15-9-5-2)10-7-12-11-13/h4-10H2,1-3H3.
What are the key properties of ethyl-(2-isocyanatoethyl)-dipropoxysilane?
ethyl-(2-isocyanatoethyl)-dipropoxysilane has a molecular weight of 245.39 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-isocyanatoethyl)-dipropoxysilane is sourced from PubChem (CID 142701820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).