sodium;dichloromethane;hydride;hydrate

CH5Cl2NaO — CID 174866701

IUPACsodium;dichloromethane;hydride;hydrate
SMILESClCCl.O.[H-].[Na+]
InChIInChI=1S/CH2Cl2.Na.H2O.H/c2-1-3;;;/h1H2;;1H2;/q;+1;;-1
InChIKeyAQEZYSANAPYVOF-UHFFFAOYSA-N
MW126.95 g/mol
LogP-2.29
Rot. Bonds

About sodium;dichloromethane;hydride;hydrate

sodium;dichloromethane;hydride;hydrate (PubChem CID 174866701) has the molecular formula CH5Cl2NaO and a molecular weight of 126.95 g/mol. Its IUPAC name is sodium;dichloromethane;hydride;hydrate.

Molecular Properties

Compound Namesodium;dichloromethane;hydride;hydrate
PubChem CID174866701
Molecular FormulaCH5Cl2NaO
Molecular Weight126.95 g/mol
Exact Mass125.96
IUPAC Namesodium;dichloromethane;hydride;hydrate
SMILESClCCl.O.[H-].[Na+]
InChIInChI=1S/CH2Cl2.Na.H2O.H/c2-1-3;;;/h1H2;;1H2;/q;+1;;-1
InChIKeyAQEZYSANAPYVOF-UHFFFAOYSA-N
XLogP-2.29
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.95
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(dichloromethane);pentacontahydrate
CID 173399237
CID 87274674
CID 87274674
dichloromethane;proton
CID 174889445
dichloromethane;germane
CID 174557663
heptasodium;hydride;trihydrate
CID 173377375
pentasodium;hydride;triacontahydrate
CID 173289943
disodium;hydride;decahydrate
CID 173476673
tetrasodium;hydride;trihydrate
CID 173330721
disodium;hydride;hexahydrate
CID 172995250
diberyllium;hydride;hydrate
CID 173254249
pentasodium;hydride;octahydrate
CID 173437212
tetradecasodium;hydride;hydrate
CID 173400182

Frequently Asked Questions

What is the IUPAC name of sodium;dichloromethane;hydride;hydrate?
The IUPAC name of sodium;dichloromethane;hydride;hydrate (CID 174866701) is sodium;dichloromethane;hydride;hydrate.
What is the SMILES notation for sodium;dichloromethane;hydride;hydrate?
The canonical SMILES for sodium;dichloromethane;hydride;hydrate is ClCCl.O.[H-].[Na+].
What is the InChIKey of sodium;dichloromethane;hydride;hydrate?
The InChIKey is AQEZYSANAPYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.Na.H2O.H/c2-1-3;;;/h1H2;;1H2;/q;+1;;-1.
What are the key properties of sodium;dichloromethane;hydride;hydrate?
sodium;dichloromethane;hydride;hydrate has a molecular weight of 126.95 g/mol, XLogP of -2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dichloromethane;hydride;hydrate is sourced from PubChem (CID 174866701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).