CID 162513189

C9H18NO4Si — CID 162513189

IUPAC—
SMILESCOCCO[Si](CCC#N)OCCOC
InChIInChI=1S/C9H18NO4Si/c1-11-5-7-13-15(9-3-4-10)14-8-6-12-2/h3,5-9H2,1-2H3
InChIKeyIIQFWTOSCNTMSF-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.71
Rot. Bonds10

About CID 162513189

CID 162513189 (PubChem CID 162513189) has the molecular formula C9H18NO4Si and a molecular weight of 232.33 g/mol.

Molecular Properties

Compound NameCID 162513189
PubChem CID162513189
Molecular FormulaC9H18NO4Si
Molecular Weight232.33 g/mol
Exact Mass232.10
IUPAC Name—
SMILESCOCCO[Si](CCC#N)OCCOC
InChIInChI=1S/C9H18NO4Si/c1-11-5-7-13-15(9-3-4-10)14-8-6-12-2/h3,5-9H2,1-2H3
InChIKeyIIQFWTOSCNTMSF-UHFFFAOYSA-N
XLogP0.71
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethane;3-methoxypropanenitrile
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3-[4-(2-methoxyethoxy)phenyl]propanenitrile
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3-[1-(2-cyanoethoxy)ethoxy]propanenitrile;3-methoxypropanenitrile
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methanol;3-methoxypropanenitrile;prop-2-enenitrile
CID 163626340
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
CID 139049171
CID 139049171
3-methylperoxypropanenitrile
CID 22946466
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427

Frequently Asked Questions

What is the IUPAC name of CID 162513189?
The IUPAC name of CID 162513189 (CID 162513189) is not available.
What is the SMILES notation for CID 162513189?
The canonical SMILES for CID 162513189 is COCCO[Si](CCC#N)OCCOC.
What is the InChIKey of CID 162513189?
The InChIKey is IIQFWTOSCNTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO4Si/c1-11-5-7-13-15(9-3-4-10)14-8-6-12-2/h3,5-9H2,1-2H3.
What are the key properties of CID 162513189?
CID 162513189 has a molecular weight of 232.33 g/mol, XLogP of 0.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162513189 is sourced from PubChem (CID 162513189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).