(1,1,2-triethoxy-3-isocyanopropyl)silane

C10H21NO3Si — CID 123656477

IUPAC(1,1,2-triethoxy-3-isocyanopropyl)silane
SMILES[C-]#[N+]CC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C10H21NO3Si/c1-5-12-9(8-11-4)10(15,13-6-2)14-7-3/h9H,5-8H2,1-3,15H3
InChIKeyYNKVKFLXEMYEHU-UHFFFAOYSA-N
MW231.37 g/mol
LogP0.40
Rot. Bonds8

About (1,1,2-triethoxy-3-isocyanopropyl)silane

(1,1,2-triethoxy-3-isocyanopropyl)silane (PubChem CID 123656477) has the molecular formula C10H21NO3Si and a molecular weight of 231.37 g/mol. Its IUPAC name is (1,1,2-triethoxy-3-isocyanopropyl)silane.

Molecular Properties

Compound Name(1,1,2-triethoxy-3-isocyanopropyl)silane
PubChem CID123656477
Molecular FormulaC10H21NO3Si
Molecular Weight231.37 g/mol
Exact Mass231.13
IUPAC Name(1,1,2-triethoxy-3-isocyanopropyl)silane
SMILES[C-]#[N+]CC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C10H21NO3Si/c1-5-12-9(8-11-4)10(15,13-6-2)14-7-3/h9H,5-8H2,1-3,15H3
InChIKeyYNKVKFLXEMYEHU-UHFFFAOYSA-N
XLogP0.40
TPSA32.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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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Related Compounds

(3-bromo-1,1,2-triethoxypropyl)silane
CID 123303105
(3-chloro-1,1,2-triethoxypropyl)silane
CID 174751331
(1,2-diethoxy-1-silylpropyl)silane
CID 175503971
[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane
CID 173157822
[ethoxy(isocyano)methoxy]ethane
CID 23541376
1,1,2-triethoxypentan-1-ol
CID 87881189
copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)
CID 173355267
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483
1-(2-ethoxy-3-isocyanopropoxy)decane
CID 156583387
1-isocyano-2-(isocyanomethyl)butane
CID 164991616
(1,1-diethoxy-2-methylprop-2-enyl)silane
CID 123449550

Frequently Asked Questions

What is the IUPAC name of (1,1,2-triethoxy-3-isocyanopropyl)silane?
The IUPAC name of (1,1,2-triethoxy-3-isocyanopropyl)silane (CID 123656477) is (1,1,2-triethoxy-3-isocyanopropyl)silane.
What is the SMILES notation for (1,1,2-triethoxy-3-isocyanopropyl)silane?
The canonical SMILES for (1,1,2-triethoxy-3-isocyanopropyl)silane is [C-]#[N+]CC(OCC)C([SiH3])(OCC)OCC.
What is the InChIKey of (1,1,2-triethoxy-3-isocyanopropyl)silane?
The InChIKey is YNKVKFLXEMYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3Si/c1-5-12-9(8-11-4)10(15,13-6-2)14-7-3/h9H,5-8H2,1-3,15H3.
What are the key properties of (1,1,2-triethoxy-3-isocyanopropyl)silane?
(1,1,2-triethoxy-3-isocyanopropyl)silane has a molecular weight of 231.37 g/mol, XLogP of 0.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2-triethoxy-3-isocyanopropyl)silane is sourced from PubChem (CID 123656477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).