CID 131883983

C11H22N2Na3O9Si — CID 131883983

IUPAC—
SMILESCO[Si](CCCN(CCN(C(=O)O)C(=O)O)C(=O)O)(OC)OC.[Na].[Na].[Na]
InChIInChI=1S/C11H22N2O9Si.3Na/c1-20-23(21-2,22-3)8-4-5-12(9(14)15)6-7-13(10(16)17)11(18)19;;;/h4-8H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);;;
InChIKeyJNJKGOPCXUNJAB-UHFFFAOYSA-N
MW423.36 g/mol
LogP-0.25
Rot. Bonds10

About CID 131883983

CID 131883983 (PubChem CID 131883983) has the molecular formula C11H22N2Na3O9Si and a molecular weight of 423.36 g/mol.

Molecular Properties

Compound NameCID 131883983
PubChem CID131883983
Molecular FormulaC11H22N2Na3O9Si
Molecular Weight423.36 g/mol
Exact Mass423.08
IUPAC Name—
SMILESCO[Si](CCCN(CCN(C(=O)O)C(=O)O)C(=O)O)(OC)OC.[Na].[Na].[Na]
InChIInChI=1S/C11H22N2O9Si.3Na/c1-20-23(21-2,22-3)8-4-5-12(9(14)15)6-7-13(10(16)17)11(18)19;;;/h4-8H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);;;
InChIKeyJNJKGOPCXUNJAB-UHFFFAOYSA-N
XLogP-0.25
TPSA146.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
CID 90475505
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203
2-methanidyloxyacetic acid;2-methanidyloxy-N,N-bis(3-trimethoxysilylpropyl)acetamide;bis(rutherfordium)
CID 157219113
2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
CID 176815905
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
CID 174145597
bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
CID 139778420
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081

Frequently Asked Questions

What is the IUPAC name of CID 131883983?
The IUPAC name of CID 131883983 (CID 131883983) is not available.
What is the SMILES notation for CID 131883983?
The canonical SMILES for CID 131883983 is CO[Si](CCCN(CCN(C(=O)O)C(=O)O)C(=O)O)(OC)OC.[Na].[Na].[Na].
What is the InChIKey of CID 131883983?
The InChIKey is JNJKGOPCXUNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O9Si.3Na/c1-20-23(21-2,22-3)8-4-5-12(9(14)15)6-7-13(10(16)17)11(18)19;;;/h4-8H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);;;.
What are the key properties of CID 131883983?
CID 131883983 has a molecular weight of 423.36 g/mol, XLogP of -0.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131883983 is sourced from PubChem (CID 131883983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).