sodium;hydride;tetradecane-2,5,8,11-tetrone

C14H23NaO4 — CID 174954679

IUPACsodium;hydride;tetradecane-2,5,8,11-tetrone
SMILESCCCC(=O)CCC(=O)CCC(=O)CCC(C)=O.[H-].[Na+]
InChIInChI=1S/C14H22O4.Na.H/c1-3-4-12(16)7-8-14(18)10-9-13(17)6-5-11(2)15;;/h3-10H2,1-2H3;;/q;+1;-1
InChIKeyNGNYHDGCEJKNJC-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.46
Rot. Bonds11

About sodium;hydride;tetradecane-2,5,8,11-tetrone

sodium;hydride;tetradecane-2,5,8,11-tetrone (PubChem CID 174954679) has the molecular formula C14H23NaO4 and a molecular weight of 278.32 g/mol. Its IUPAC name is sodium;hydride;tetradecane-2,5,8,11-tetrone.

Molecular Properties

Compound Namesodium;hydride;tetradecane-2,5,8,11-tetrone
PubChem CID174954679
Molecular FormulaC14H23NaO4
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Namesodium;hydride;tetradecane-2,5,8,11-tetrone
SMILESCCCC(=O)CCC(=O)CCC(=O)CCC(C)=O.[H-].[Na+]
InChIInChI=1S/C14H22O4.Na.H/c1-3-4-12(16)7-8-14(18)10-9-13(17)6-5-11(2)15;;/h3-10H2,1-2H3;;/q;+1;-1
InChIKeyNGNYHDGCEJKNJC-UHFFFAOYSA-N
XLogP-0.46
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

decane-4,7-dione;dodecane-4,9-dione;octane-2,7-dione;undecane-4,8-dione
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heptadecane-2,5,8,11-tetrone
CID 12716046
pentadecane-2,3,6,9,12-pentone
CID 164738969
palladium;pentan-2-one
CID 174766041
pentan-2-one;zinc
CID 88629307
hexane-2,5-dione
CID 8035
heptane-2,4-dione;palladium(2+)
CID 21417766
butane-2,3-dione;pentan-2-one
CID 160941626
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
CID 171375174
CID 171375174
CID 158726547
CID 158726547
bis(heptane-2,4-dione);platinum
CID 158167242

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;tetradecane-2,5,8,11-tetrone?
The IUPAC name of sodium;hydride;tetradecane-2,5,8,11-tetrone (CID 174954679) is sodium;hydride;tetradecane-2,5,8,11-tetrone.
What is the SMILES notation for sodium;hydride;tetradecane-2,5,8,11-tetrone?
The canonical SMILES for sodium;hydride;tetradecane-2,5,8,11-tetrone is CCCC(=O)CCC(=O)CCC(=O)CCC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;tetradecane-2,5,8,11-tetrone?
The InChIKey is NGNYHDGCEJKNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4.Na.H/c1-3-4-12(16)7-8-14(18)10-9-13(17)6-5-11(2)15;;/h3-10H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;tetradecane-2,5,8,11-tetrone?
sodium;hydride;tetradecane-2,5,8,11-tetrone has a molecular weight of 278.32 g/mol, XLogP of -0.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;tetradecane-2,5,8,11-tetrone is sourced from PubChem (CID 174954679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).