2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide

C21H43I6N2O10- — CID 159797251

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide
SMILESCC(CO)(CO)C(=O)O.CC1(C)CC(N=O)CC(C)(CN=O)C1.I.II.I[I-]I.OCCOCCOCCO
InChIInChI=1S/C10H18N2O2.C6H14O4.C5H10O4.I3.I2.HI/c1-9(2)4-8(12-14)5-10(3,6-9)7-11-13;7-1-3-9-5-6-10-4-2-8;1-5(2-6,3-7)4(8)9;1-3-2;1-2;/h8H,4-7H2,1-3H3;7-8H,1-6H2;6-7H,2-3H2,1H3,(H,8,9);;;1H/q;;;-1;;
InChIKeyHSJMWRBCFVWFKV-UHFFFAOYSA-N
MW1245.00 g/mol
LogP2.34
Rot. Bonds13

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide (PubChem CID 159797251) has the molecular formula C21H43I6N2O10- and a molecular weight of 1245.00 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide
PubChem CID159797251
Molecular FormulaC21H43I6N2O10-
Molecular Weight1245.00 g/mol
Exact Mass1244.72
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide
SMILESCC(CO)(CO)C(=O)O.CC1(C)CC(N=O)CC(C)(CN=O)C1.I.II.I[I-]I.OCCOCCOCCO
InChIInChI=1S/C10H18N2O2.C6H14O4.C5H10O4.I3.I2.HI/c1-9(2)4-8(12-14)5-10(3,6-9)7-11-13;7-1-3-9-5-6-10-4-2-8;1-5(2-6,3-7)4(8)9;1-3-2;1-2;/h8H,4-7H2,1-3H3;7-8H,1-6H2;6-7H,2-3H2,1H3,(H,8,9);;;1H/q;;;-1;;
InChIKeyHSJMWRBCFVWFKV-UHFFFAOYSA-N
XLogP2.34
TPSA195.54 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.00
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide 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

deuterio(diiodo)phosphane;deuterio(iodo)methane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;[3-(isocyanatomethyl)phenyl]methyl cyanate;2-methoxyethanol
CID 161097962
N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine
CID 143086392
ethane-1,2-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
CID 88640831
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
CID 79425713
acetic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
CID 160785283
butane-1,4-diol;1,6-diisocyanatohexane;dimethyl carbonate;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;N-ethyl-N-propan-2-ylpropan-2-amine;hexanedioic acid;hexane-1,6-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
CID 170852921
(2S)-2-[[(3R)-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamoyloxymethyl]-3-[[(1S)-5-[4-[[(1S)-5-isocyanato-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]butoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]-2-methylpropanoic acid
CID 130306288
2-[[5-[(butan-2-ylideneamino)peroxymethylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxymethyl]-3-hydroxy-2-methylpropanoic acid
CID 59981539
dimethyl carbonate;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one
CID 170852969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide (CID 159797251) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide is CC(CO)(CO)C(=O)O.CC1(C)CC(N=O)CC(C)(CN=O)C1.I.II.I[I-]I.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide?
The InChIKey is HSJMWRBCFVWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C6H14O4.C5H10O4.I3.I2.HI/c1-9(2)4-8(12-14)5-10(3,6-9)7-11-13;7-1-3-9-5-6-10-4-2-8;1-5(2-6,3-7)4(8)9;1-3-2;1-2;/h8H,4-7H2,1-3H3;7-8H,1-6H2;6-7H,2-3H2,1H3,(H,8,9);;;1H/q;;;-1;;.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide has a molecular weight of 1245.00 g/mol, XLogP of 2.34, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;molecular iodine;1,1,3-trimethyl-5-nitroso-3-(nitrosomethyl)cyclohexane;triiodide;hydroiodide is sourced from PubChem (CID 159797251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).