CID 176507879

C10H20NaO4 — CID 176507879

IUPAC—
SMILESO=C(O)CCCCCCCCC(=O)O.[H][H].[Na]
InChIInChI=1S/C10H18O4.Na.H2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;1H
InChIKeyIHYVZWMYACQWNA-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.14
Rot. Bonds9

About CID 176507879

CID 176507879 (PubChem CID 176507879) has the molecular formula C10H20NaO4 and a molecular weight of 227.26 g/mol.

Molecular Properties

Compound NameCID 176507879
PubChem CID176507879
Molecular FormulaC10H20NaO4
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name—
SMILESO=C(O)CCCCCCCCC(=O)O.[H][H].[Na]
InChIInChI=1S/C10H18O4.Na.H2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;1H
InChIKeyIHYVZWMYACQWNA-UHFFFAOYSA-N
XLogP2.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.14
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

CID 87932920
CID 87932920
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
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694

Frequently Asked Questions

What is the IUPAC name of CID 176507879?
The IUPAC name of CID 176507879 (CID 176507879) is not available.
What is the SMILES notation for CID 176507879?
The canonical SMILES for CID 176507879 is O=C(O)CCCCCCCCC(=O)O.[H][H].[Na].
What is the InChIKey of CID 176507879?
The InChIKey is IHYVZWMYACQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Na.H2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;1H.
What are the key properties of CID 176507879?
CID 176507879 has a molecular weight of 227.26 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176507879 is sourced from PubChem (CID 176507879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).