sodium;ethyl 2-ethylbutanoate;hydride

C8H17NaO2 — CID 174848178

IUPACsodium;ethyl 2-ethylbutanoate;hydride
SMILESCCOC(=O)C(CC)CC.[H-].[Na+]
InChIInChI=1S/C8H16O2.Na.H/c1-4-7(5-2)8(9)10-6-3;;/h7H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyPQYNMCUDIXGABF-UHFFFAOYSA-N
MW168.21 g/mol
LogP-0.90
Rot. Bonds4

About sodium;ethyl 2-ethylbutanoate;hydride

sodium;ethyl 2-ethylbutanoate;hydride (PubChem CID 174848178) has the molecular formula C8H17NaO2 and a molecular weight of 168.21 g/mol. Its IUPAC name is sodium;ethyl 2-ethylbutanoate;hydride.

Molecular Properties

Compound Namesodium;ethyl 2-ethylbutanoate;hydride
PubChem CID174848178
Molecular FormulaC8H17NaO2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Namesodium;ethyl 2-ethylbutanoate;hydride
SMILESCCOC(=O)C(CC)CC.[H-].[Na+]
InChIInChI=1S/C8H16O2.Na.H/c1-4-7(5-2)8(9)10-6-3;;/h7H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyPQYNMCUDIXGABF-UHFFFAOYSA-N
XLogP-0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
CID 88565350
ethyl 2-(methylaminomethyl)butanoate
CID 23272258
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
ethyl 2-ethyldocosanoate
CID 175304380
cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
CID 67882707
ethene;ethyl 2-propylpentanoate
CID 160741230
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
nonadecyl 2-ethylbutanoate
CID 91709791
icosyl 2-ethylbutanoate
CID 91709792
(ethoxycarbonylamino) 2-ethylbutanoate
CID 174978279
sodium;ethyl acetate;2-ethylhexanoic acid;hydride
CID 173249720

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 2-ethylbutanoate;hydride?
The IUPAC name of sodium;ethyl 2-ethylbutanoate;hydride (CID 174848178) is sodium;ethyl 2-ethylbutanoate;hydride.
What is the SMILES notation for sodium;ethyl 2-ethylbutanoate;hydride?
The canonical SMILES for sodium;ethyl 2-ethylbutanoate;hydride is CCOC(=O)C(CC)CC.[H-].[Na+].
What is the InChIKey of sodium;ethyl 2-ethylbutanoate;hydride?
The InChIKey is PQYNMCUDIXGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Na.H/c1-4-7(5-2)8(9)10-6-3;;/h7H,4-6H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;ethyl 2-ethylbutanoate;hydride?
sodium;ethyl 2-ethylbutanoate;hydride has a molecular weight of 168.21 g/mol, XLogP of -0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 2-ethylbutanoate;hydride is sourced from PubChem (CID 174848178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).