3-ethyloctanoic acid;neodymium

C10H20NdO2 — CID 174650378

IUPAC3-ethyloctanoic acid;neodymium
SMILESCCCCCC(CC)CC(=O)O.[Nd]
InChIInChI=1S/C10H20O2.Nd/c1-3-5-6-7-9(4-2)8-10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);
InChIKeyCSRQZFJAOKZKIR-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.07
Rot. Bonds7

About 3-ethyloctanoic acid;neodymium

3-ethyloctanoic acid;neodymium (PubChem CID 174650378) has the molecular formula C10H20NdO2 and a molecular weight of 316.51 g/mol. Its IUPAC name is 3-ethyloctanoic acid;neodymium.

Molecular Properties

Compound Name3-ethyloctanoic acid;neodymium
PubChem CID174650378
Molecular FormulaC10H20NdO2
Molecular Weight316.51 g/mol
Exact Mass314.05
IUPAC Name3-ethyloctanoic acid;neodymium
SMILESCCCCCC(CC)CC(=O)O.[Nd]
InChIInChI=1S/C10H20O2.Nd/c1-3-5-6-7-9(4-2)8-10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);
InChIKeyCSRQZFJAOKZKIR-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(3-ethyloctanoic acid);nickel
CID 176656697
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CID 14298660
3-heptylpentanedioic acid
CID 14574131
3-tetradecyloctadecanoic acid
CID 18954670
(3S)-3-(hydroxymethyl)decanoic acid
CID 88616770
3-ethylnonanoic acid;piperidine
CID 175583791
3-(2-hydroxyethyl)nonanoic acid
CID 87790478
2-(9-ethyltetradecyl)butanedioic acid
CID 174907381
3-(3-aminopropyl)decanoic acid
CID 21259292
hexane-2,5-diol;3-hexylundecanoic acid
CID 87784320
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689

Frequently Asked Questions

What is the IUPAC name of 3-ethyloctanoic acid;neodymium?
The IUPAC name of 3-ethyloctanoic acid;neodymium (CID 174650378) is 3-ethyloctanoic acid;neodymium.
What is the SMILES notation for 3-ethyloctanoic acid;neodymium?
The canonical SMILES for 3-ethyloctanoic acid;neodymium is CCCCCC(CC)CC(=O)O.[Nd].
What is the InChIKey of 3-ethyloctanoic acid;neodymium?
The InChIKey is CSRQZFJAOKZKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Nd/c1-3-5-6-7-9(4-2)8-10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);.
What are the key properties of 3-ethyloctanoic acid;neodymium?
3-ethyloctanoic acid;neodymium has a molecular weight of 316.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctanoic acid;neodymium is sourced from PubChem (CID 174650378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).