sodium;ethyl acetate;2-ethylhexanoic acid;hydride

C12H25NaO4 — CID 173249720

IUPACsodium;ethyl acetate;2-ethylhexanoic acid;hydride
SMILESCCCCC(CC)C(=O)O.CCOC(C)=O.[H-].[Na+]
InChIInChI=1S/C8H16O2.C4H8O2.Na.H/c1-3-5-6-7(4-2)8(9)10;1-3-6-4(2)5;;/h7H,3-6H2,1-2H3,(H,9,10);3H2,1-2H3;;/q;;+1;-1
InChIKeyJXGNPNOGNXEMMT-UHFFFAOYSA-N
MW256.32 g/mol
LogP-0.03
Rot. Bonds6

About sodium;ethyl acetate;2-ethylhexanoic acid;hydride

sodium;ethyl acetate;2-ethylhexanoic acid;hydride (PubChem CID 173249720) has the molecular formula C12H25NaO4 and a molecular weight of 256.32 g/mol. Its IUPAC name is sodium;ethyl acetate;2-ethylhexanoic acid;hydride.

Molecular Properties

Compound Namesodium;ethyl acetate;2-ethylhexanoic acid;hydride
PubChem CID173249720
Molecular FormulaC12H25NaO4
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Namesodium;ethyl acetate;2-ethylhexanoic acid;hydride
SMILESCCCCC(CC)C(=O)O.CCOC(C)=O.[H-].[Na+]
InChIInChI=1S/C8H16O2.C4H8O2.Na.H/c1-3-5-6-7(4-2)8(9)10;1-3-6-4(2)5;;/h7H,3-6H2,1-2H3,(H,9,10);3H2,1-2H3;;/q;;+1;-1
InChIKeyJXGNPNOGNXEMMT-UHFFFAOYSA-N
XLogP-0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butanoic acid;ethyl acetate;2-ethylhexanedioic acid
CID 161487044
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
2-ethylhexanoic acid;palladium(2+)
CID 18629949
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
2-ethylhexanoic acid;hexadecane
CID 174408772
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl acetate;2-ethylhexanoic acid;hydride?
The IUPAC name of sodium;ethyl acetate;2-ethylhexanoic acid;hydride (CID 173249720) is sodium;ethyl acetate;2-ethylhexanoic acid;hydride.
What is the SMILES notation for sodium;ethyl acetate;2-ethylhexanoic acid;hydride?
The canonical SMILES for sodium;ethyl acetate;2-ethylhexanoic acid;hydride is CCCCC(CC)C(=O)O.CCOC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;ethyl acetate;2-ethylhexanoic acid;hydride?
The InChIKey is JXGNPNOGNXEMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C4H8O2.Na.H/c1-3-5-6-7(4-2)8(9)10;1-3-6-4(2)5;;/h7H,3-6H2,1-2H3,(H,9,10);3H2,1-2H3;;/q;;+1;-1.
What are the key properties of sodium;ethyl acetate;2-ethylhexanoic acid;hydride?
sodium;ethyl acetate;2-ethylhexanoic acid;hydride has a molecular weight of 256.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl acetate;2-ethylhexanoic acid;hydride is sourced from PubChem (CID 173249720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).