4,4-dideuterionon-8-enoic acid

C9H16O2 — CID 10820841

IUPAC4,4-dideuterionon-8-enoic acid
SMILES[2H]C([2H])(CCCC=C)CCC(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)/i6D2
InChIKeyAWQOXJOAQMCOED-NCYHJHSESA-N
MW158.24 g/mol
LogP2.60
Rot. Bonds7

About 4,4-dideuterionon-8-enoic acid

4,4-dideuterionon-8-enoic acid (PubChem CID 10820841) has the molecular formula C9H16O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4,4-dideuterionon-8-enoic acid.

Molecular Properties

Compound Name4,4-dideuterionon-8-enoic acid
PubChem CID10820841
Molecular FormulaC9H16O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4,4-dideuterionon-8-enoic acid
SMILES[2H]C([2H])(CCCC=C)CCC(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)/i6D2
InChIKeyAWQOXJOAQMCOED-NCYHJHSESA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
isocyanic acid;undec-10-enoic acid
CID 172822510
(5R)-5-hydroxydec-9-enoic acid
CID 97184595
dec-1-ene;dec-9-enoic acid
CID 87497067
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
isocyanic acid;methane;non-8-enoic acid
CID 174797729
heptadeca-12,16-dienoic acid
CID 91393607

Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterionon-8-enoic acid?
The IUPAC name of 4,4-dideuterionon-8-enoic acid (CID 10820841) is 4,4-dideuterionon-8-enoic acid.
What is the SMILES notation for 4,4-dideuterionon-8-enoic acid?
The canonical SMILES for 4,4-dideuterionon-8-enoic acid is [2H]C([2H])(CCCC=C)CCC(=O)O.
What is the InChIKey of 4,4-dideuterionon-8-enoic acid?
The InChIKey is AWQOXJOAQMCOED-NCYHJHSESA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)/i6D2.
What are the key properties of 4,4-dideuterionon-8-enoic acid?
4,4-dideuterionon-8-enoic acid has a molecular weight of 158.24 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterionon-8-enoic acid is sourced from PubChem (CID 10820841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).