sodium;decanedioic acid;hydride

C10H19NaO4 — CID 173004506

IUPACsodium;decanedioic acid;hydride
SMILESO=C(O)CCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C10H18O4.Na.H/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyOGTZMQZEWFQNLV-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.61
Rot. Bonds9

About sodium;decanedioic acid;hydride

sodium;decanedioic acid;hydride (PubChem CID 173004506) has the molecular formula C10H19NaO4 and a molecular weight of 226.25 g/mol. Its IUPAC name is sodium;decanedioic acid;hydride.

Molecular Properties

Compound Namesodium;decanedioic acid;hydride
PubChem CID173004506
Molecular FormulaC10H19NaO4
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Namesodium;decanedioic acid;hydride
SMILESO=C(O)CCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C10H18O4.Na.H/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyOGTZMQZEWFQNLV-UHFFFAOYSA-N
XLogP-0.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;henicosanedioic acid;hydride
CID 174862400
disodium;hydride;tetradecanedioic acid
CID 175393935
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
calcium;decanedioic acid;hydride;zinc
CID 174761072

Frequently Asked Questions

What is the IUPAC name of sodium;decanedioic acid;hydride?
The IUPAC name of sodium;decanedioic acid;hydride (CID 173004506) is sodium;decanedioic acid;hydride.
What is the SMILES notation for sodium;decanedioic acid;hydride?
The canonical SMILES for sodium;decanedioic acid;hydride is O=C(O)CCCCCCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;decanedioic acid;hydride?
The InChIKey is OGTZMQZEWFQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Na.H/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;+1;-1.
What are the key properties of sodium;decanedioic acid;hydride?
sodium;decanedioic acid;hydride has a molecular weight of 226.25 g/mol, XLogP of -0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;decanedioic acid;hydride is sourced from PubChem (CID 173004506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).