diethoxy-isocyano-pentoxysilane

C10H21NO3Si — CID 141371677

IUPACdiethoxy-isocyano-pentoxysilane
SMILES[C-]#[N+][Si](OCC)(OCC)OCCCCC
InChIInChI=1S/C10H21NO3Si/c1-5-8-9-10-14-15(11-4,12-6-2)13-7-3/h5-10H2,1-3H3
InChIKeyHMRRDFKIGQVDHG-UHFFFAOYSA-N
MW231.37 g/mol
LogP2.62
Rot. Bonds9

About diethoxy-isocyano-pentoxysilane

diethoxy-isocyano-pentoxysilane (PubChem CID 141371677) has the molecular formula C10H21NO3Si and a molecular weight of 231.37 g/mol. Its IUPAC name is diethoxy-isocyano-pentoxysilane.

Molecular Properties

Compound Namediethoxy-isocyano-pentoxysilane
PubChem CID141371677
Molecular FormulaC10H21NO3Si
Molecular Weight231.37 g/mol
Exact Mass231.13
IUPAC Namediethoxy-isocyano-pentoxysilane
SMILES[C-]#[N+][Si](OCC)(OCC)OCCCCC
InChIInChI=1S/C10H21NO3Si/c1-5-8-9-10-14-15(11-4,12-6-2)13-7-3/h5-10H2,1-3H3
InChIKeyHMRRDFKIGQVDHG-UHFFFAOYSA-N
XLogP2.62
TPSA32.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
ethyl dimethyl pentyl silicate
CID 88851017
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
triheptyl pentyl silicate
CID 141280740
diethoxy-isocyano-pentan-2-yloxysilane
CID 141161615
trichloro(pentoxy)silane
CID 524763
triheptoxy(methyl)silane
CID 525768
hexoxy-dimethyl-nonoxysilane
CID 91741085

Frequently Asked Questions

What is the IUPAC name of diethoxy-isocyano-pentoxysilane?
The IUPAC name of diethoxy-isocyano-pentoxysilane (CID 141371677) is diethoxy-isocyano-pentoxysilane.
What is the SMILES notation for diethoxy-isocyano-pentoxysilane?
The canonical SMILES for diethoxy-isocyano-pentoxysilane is [C-]#[N+][Si](OCC)(OCC)OCCCCC.
What is the InChIKey of diethoxy-isocyano-pentoxysilane?
The InChIKey is HMRRDFKIGQVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3Si/c1-5-8-9-10-14-15(11-4,12-6-2)13-7-3/h5-10H2,1-3H3.
What are the key properties of diethoxy-isocyano-pentoxysilane?
diethoxy-isocyano-pentoxysilane has a molecular weight of 231.37 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-isocyano-pentoxysilane is sourced from PubChem (CID 141371677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).