2,4-dideuteriononane

C9H20 — CID 172688950

IUPAC2,4-dideuteriononane
SMILES[2H]C(C)CC([2H])CCCCC
InChIInChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3/i3D,7D
InChIKeyBKIMMITUMNQMOS-MKANTAFVSA-N
MW130.27 g/mol
LogP3.76
Rot. Bonds6

About 2,4-dideuteriononane

2,4-dideuteriononane (PubChem CID 172688950) has the molecular formula C9H20 and a molecular weight of 130.27 g/mol. Its IUPAC name is 2,4-dideuteriononane.

Molecular Properties

Compound Name2,4-dideuteriononane
PubChem CID172688950
Molecular FormulaC9H20
Molecular Weight130.27 g/mol
Exact Mass130.17
IUPAC Name2,4-dideuteriononane
SMILES[2H]C(C)CC([2H])CCCCC
InChIInChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3/i3D,7D
InChIKeyBKIMMITUMNQMOS-MKANTAFVSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-deuteriononan-1-amine
CID 10820665
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of 2,4-dideuteriononane?
The IUPAC name of 2,4-dideuteriononane (CID 172688950) is 2,4-dideuteriononane.
What is the SMILES notation for 2,4-dideuteriononane?
The canonical SMILES for 2,4-dideuteriononane is [2H]C(C)CC([2H])CCCCC.
What is the InChIKey of 2,4-dideuteriononane?
The InChIKey is BKIMMITUMNQMOS-MKANTAFVSA-N. The full InChI is InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3/i3D,7D.
What are the key properties of 2,4-dideuteriononane?
2,4-dideuteriononane has a molecular weight of 130.27 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dideuteriononane is sourced from PubChem (CID 172688950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).