sodium;chloroform;ethyl acetate;hydride

C5H10Cl3NaO2 — CID 175038469

IUPACsodium;chloroform;ethyl acetate;hydride
SMILESCCOC(C)=O.ClC(Cl)Cl.[H-].[Na+]
InChIInChI=1S/C4H8O2.CHCl3.Na.H/c1-3-6-4(2)5;2-1(3)4;;/h3H2,1-2H3;1H;;/q;;+1;-1
InChIKeyIUWJCXMHAKKTSK-UHFFFAOYSA-N
MW231.48 g/mol
LogP-0.33
Rot. Bonds1

About sodium;chloroform;ethyl acetate;hydride

sodium;chloroform;ethyl acetate;hydride (PubChem CID 175038469) has the molecular formula C5H10Cl3NaO2 and a molecular weight of 231.48 g/mol. Its IUPAC name is sodium;chloroform;ethyl acetate;hydride.

Molecular Properties

Compound Namesodium;chloroform;ethyl acetate;hydride
PubChem CID175038469
Molecular FormulaC5H10Cl3NaO2
Molecular Weight231.48 g/mol
Exact Mass229.96
IUPAC Namesodium;chloroform;ethyl acetate;hydride
SMILESCCOC(C)=O.ClC(Cl)Cl.[H-].[Na+]
InChIInChI=1S/C4H8O2.CHCl3.Na.H/c1-3-6-4(2)5;2-1(3)4;;/h3H2,1-2H3;1H;;/q;;+1;-1
InChIKeyIUWJCXMHAKKTSK-UHFFFAOYSA-N
XLogP-0.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;chloroform;ethyl acetate;hydride?
The IUPAC name of sodium;chloroform;ethyl acetate;hydride (CID 175038469) is sodium;chloroform;ethyl acetate;hydride.
What is the SMILES notation for sodium;chloroform;ethyl acetate;hydride?
The canonical SMILES for sodium;chloroform;ethyl acetate;hydride is CCOC(C)=O.ClC(Cl)Cl.[H-].[Na+].
What is the InChIKey of sodium;chloroform;ethyl acetate;hydride?
The InChIKey is IUWJCXMHAKKTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CHCl3.Na.H/c1-3-6-4(2)5;2-1(3)4;;/h3H2,1-2H3;1H;;/q;;+1;-1.
What are the key properties of sodium;chloroform;ethyl acetate;hydride?
sodium;chloroform;ethyl acetate;hydride has a molecular weight of 231.48 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloroform;ethyl acetate;hydride is sourced from PubChem (CID 175038469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).