sodium;hexanedioic acid;formate

C7H11NaO6 — CID 158504791

IUPACsodium;hexanedioic acid;formate
SMILESO=C(O)CCCCC(=O)O.O=C[O-].[Na+]
InChIInChI=1S/C6H10O4.CH2O2.Na/c7-5(8)3-1-2-4-6(9)10;2-1-3;/h1-4H2,(H,7,8)(H,9,10);1H,(H,2,3);/q;;+1/p-1
InChIKeyIUXNYCKQEOWFLO-UHFFFAOYSA-M
MW214.15 g/mol
LogP-3.91
Rot. Bonds5

About sodium;hexanedioic acid;formate

sodium;hexanedioic acid;formate (PubChem CID 158504791) has the molecular formula C7H11NaO6 and a molecular weight of 214.15 g/mol. Its IUPAC name is sodium;hexanedioic acid;formate.

Molecular Properties

Compound Namesodium;hexanedioic acid;formate
PubChem CID158504791
Molecular FormulaC7H11NaO6
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Namesodium;hexanedioic acid;formate
SMILESO=C(O)CCCCC(=O)O.O=C[O-].[Na+]
InChIInChI=1S/C6H10O4.CH2O2.Na/c7-5(8)3-1-2-4-6(9)10;2-1-3;/h1-4H2,(H,7,8)(H,9,10);1H,(H,2,3);/q;;+1/p-1
InChIKeyIUXNYCKQEOWFLO-UHFFFAOYSA-M
XLogP-3.91
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-3.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
azane;hexanedioic acid
CID 14323449
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of sodium;hexanedioic acid;formate?
The IUPAC name of sodium;hexanedioic acid;formate (CID 158504791) is sodium;hexanedioic acid;formate.
What is the SMILES notation for sodium;hexanedioic acid;formate?
The canonical SMILES for sodium;hexanedioic acid;formate is O=C(O)CCCCC(=O)O.O=C[O-].[Na+].
What is the InChIKey of sodium;hexanedioic acid;formate?
The InChIKey is IUXNYCKQEOWFLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.CH2O2.Na/c7-5(8)3-1-2-4-6(9)10;2-1-3;/h1-4H2,(H,7,8)(H,9,10);1H,(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;hexanedioic acid;formate?
sodium;hexanedioic acid;formate has a molecular weight of 214.15 g/mol, XLogP of -3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexanedioic acid;formate is sourced from PubChem (CID 158504791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).