calcium;sodium;hydride;2-propylpentanoic acid

C8H19CaNaO2 — CID 174695828

IUPACcalcium;sodium;hydride;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C8H16O2.Ca.Na.3H/c1-3-5-7(6-4-2)8(9)10;;;;;/h7H,3-6H2,1-2H3,(H,9,10);;;;;/q;+2;+1;3*-1
InChIKeyRDHCGHNJEXVQQR-UHFFFAOYSA-N
MW210.31 g/mol
LogP-0.75
Rot. Bonds5

About calcium;sodium;hydride;2-propylpentanoic acid

calcium;sodium;hydride;2-propylpentanoic acid (PubChem CID 174695828) has the molecular formula C8H19CaNaO2 and a molecular weight of 210.31 g/mol. Its IUPAC name is calcium;sodium;hydride;2-propylpentanoic acid.

Molecular Properties

Compound Namecalcium;sodium;hydride;2-propylpentanoic acid
PubChem CID174695828
Molecular FormulaC8H19CaNaO2
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Namecalcium;sodium;hydride;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C8H16O2.Ca.Na.3H/c1-3-5-7(6-4-2)8(9)10;;;;;/h7H,3-6H2,1-2H3,(H,9,10);;;;;/q;+2;+1;3*-1
InChIKeyRDHCGHNJEXVQQR-UHFFFAOYSA-N
XLogP-0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
formic acid;2-propylpentanoic acid
CID 87531584
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-propylhexadecanoic acid
CID 10040360
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylheptadecanoic acid
CID 22251985
(2S)-2-propylbutanedioic acid
CID 12648185
7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
CID 10177012
CID 10177012

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;hydride;2-propylpentanoic acid?
The IUPAC name of calcium;sodium;hydride;2-propylpentanoic acid (CID 174695828) is calcium;sodium;hydride;2-propylpentanoic acid.
What is the SMILES notation for calcium;sodium;hydride;2-propylpentanoic acid?
The canonical SMILES for calcium;sodium;hydride;2-propylpentanoic acid is CCCC(CCC)C(=O)O.[Ca+2].[H-].[H-].[H-].[Na+].
What is the InChIKey of calcium;sodium;hydride;2-propylpentanoic acid?
The InChIKey is RDHCGHNJEXVQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Ca.Na.3H/c1-3-5-7(6-4-2)8(9)10;;;;;/h7H,3-6H2,1-2H3,(H,9,10);;;;;/q;+2;+1;3*-1.
What are the key properties of calcium;sodium;hydride;2-propylpentanoic acid?
calcium;sodium;hydride;2-propylpentanoic acid has a molecular weight of 210.31 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;hydride;2-propylpentanoic acid is sourced from PubChem (CID 174695828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).