calcium;decanedioic acid;hydride;zinc

C10H20CaO4Zn — CID 174761072

IUPACcalcium;decanedioic acid;hydride;zinc
SMILESO=C(O)CCCCCCCCC(=O)O.[Ca+2].[H-].[H-].[Zn]
InChIInChI=1S/C10H18O4.Ca.Zn.2H/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;/h1-8H2,(H,11,12)(H,13,14);;;;/q;+2;;2*-1
InChIKeyKHWSCAVMMSVEAT-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.12
Rot. Bonds9

About calcium;decanedioic acid;hydride;zinc

calcium;decanedioic acid;hydride;zinc (PubChem CID 174761072) has the molecular formula C10H20CaO4Zn and a molecular weight of 309.73 g/mol. Its IUPAC name is calcium;decanedioic acid;hydride;zinc.

Molecular Properties

Compound Namecalcium;decanedioic acid;hydride;zinc
PubChem CID174761072
Molecular FormulaC10H20CaO4Zn
Molecular Weight309.73 g/mol
Exact Mass308.03
IUPAC Namecalcium;decanedioic acid;hydride;zinc
SMILESO=C(O)CCCCCCCCC(=O)O.[Ca+2].[H-].[H-].[Zn]
InChIInChI=1S/C10H18O4.Ca.Zn.2H/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;/h1-8H2,(H,11,12)(H,13,14);;;;/q;+2;;2*-1
InChIKeyKHWSCAVMMSVEAT-UHFFFAOYSA-N
XLogP2.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octanedioic acid;zinc
CID 87285694
disodium;henicosanedioic acid;hydride
CID 174862400
sodium;decanedioic acid;hydride
CID 173004506
disodium;hydride;tetradecanedioic acid
CID 175393935
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of calcium;decanedioic acid;hydride;zinc?
The IUPAC name of calcium;decanedioic acid;hydride;zinc (CID 174761072) is calcium;decanedioic acid;hydride;zinc.
What is the SMILES notation for calcium;decanedioic acid;hydride;zinc?
The canonical SMILES for calcium;decanedioic acid;hydride;zinc is O=C(O)CCCCCCCCC(=O)O.[Ca+2].[H-].[H-].[Zn].
What is the InChIKey of calcium;decanedioic acid;hydride;zinc?
The InChIKey is KHWSCAVMMSVEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Ca.Zn.2H/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;/h1-8H2,(H,11,12)(H,13,14);;;;/q;+2;;2*-1.
What are the key properties of calcium;decanedioic acid;hydride;zinc?
calcium;decanedioic acid;hydride;zinc has a molecular weight of 309.73 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;decanedioic acid;hydride;zinc is sourced from PubChem (CID 174761072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).