azane;2,2-dichloroethanol;nonakis(dichloromethane)

C11H52Cl20N10O — CID 173068778

IUPACazane;2,2-dichloroethanol;nonakis(dichloromethane)
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.N.N.N.N.N.N.N.N.N.N.OCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O.9CH2Cl2.10H3N/c3-2(4)1-5;9*2-1-3;;;;;;;;;;/h2,5H,1H2;9*1H2;10*1H3
InChIKeyOOVOYRXEIAHNIU-UHFFFAOYSA-N
MW1049.67 g/mol
LogP15.20
Rot. Bonds1

About azane;2,2-dichloroethanol;nonakis(dichloromethane)

azane;2,2-dichloroethanol;nonakis(dichloromethane) (PubChem CID 173068778) has the molecular formula C11H52Cl20N10O and a molecular weight of 1049.67 g/mol. Its IUPAC name is azane;2,2-dichloroethanol;nonakis(dichloromethane).

Molecular Properties

Compound Nameazane;2,2-dichloroethanol;nonakis(dichloromethane)
PubChem CID173068778
Molecular FormulaC11H52Cl20N10O
Molecular Weight1049.67 g/mol
Exact Mass1039.81
IUPAC Nameazane;2,2-dichloroethanol;nonakis(dichloromethane)
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.N.N.N.N.N.N.N.N.N.N.OCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O.9CH2Cl2.10H3N/c3-2(4)1-5;9*2-1-3;;;;;;;;;;/h2,5H,1H2;9*1H2;10*1H3
InChIKeyOOVOYRXEIAHNIU-UHFFFAOYSA-N
XLogP15.20
TPSA370.23 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001049.67
LogP ≤ 515.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloroethanol;(dichloromethane)
CID 173081076
azane;2,2-dichloroethanol
CID 87173184
icosakis(2,2-dichloroethanol);methanol
CID 173499766
2,2-dichloroethanol;ethoxyethane
CID 22662862
2,3-dichloropropan-1-ol;hydron
CID 174396616
2,3-dichloropropan-1-ol;hydrate
CID 88835584
azane;bis(dichloromethane);methanol
CID 173301949
benzene;dichloromethane;2-methylpropan-1-ol
CID 70594153
chloroform;2-methylpropan-1-ol
CID 22625576
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 173499864
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 172996538
(dichloromethane);ethanol
CID 173133472

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dichloroethanol;nonakis(dichloromethane)?
The IUPAC name of azane;2,2-dichloroethanol;nonakis(dichloromethane) (CID 173068778) is azane;2,2-dichloroethanol;nonakis(dichloromethane).
What is the SMILES notation for azane;2,2-dichloroethanol;nonakis(dichloromethane)?
The canonical SMILES for azane;2,2-dichloroethanol;nonakis(dichloromethane) is ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.N.N.N.N.N.N.N.N.N.N.OCC(Cl)Cl.
What is the InChIKey of azane;2,2-dichloroethanol;nonakis(dichloromethane)?
The InChIKey is OOVOYRXEIAHNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O.9CH2Cl2.10H3N/c3-2(4)1-5;9*2-1-3;;;;;;;;;;/h2,5H,1H2;9*1H2;10*1H3.
What are the key properties of azane;2,2-dichloroethanol;nonakis(dichloromethane)?
azane;2,2-dichloroethanol;nonakis(dichloromethane) has a molecular weight of 1049.67 g/mol, XLogP of 15.20, 1 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dichloroethanol;nonakis(dichloromethane) is sourced from PubChem (CID 173068778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).