1,10-dichloro-1,1,10,10-tetradeuteriodecane

C10H20Cl2 — CID 76974059

IUPAC1,10-dichloro-1,1,10,10-tetradeuteriodecane
SMILES[2H]C([2H])(Cl)CCCCCCCCC([2H])([2H])Cl
InChIInChI=1S/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2/i9D2,10D2
InChIKeyRBBNTRDPSVZESY-YQUBHJMPSA-N
MW215.20 g/mol
LogP4.58
Rot. Bonds9

About 1,10-dichloro-1,1,10,10-tetradeuteriodecane

1,10-dichloro-1,1,10,10-tetradeuteriodecane (PubChem CID 76974059) has the molecular formula C10H20Cl2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1,10-dichloro-1,1,10,10-tetradeuteriodecane.

Molecular Properties

Compound Name1,10-dichloro-1,1,10,10-tetradeuteriodecane
PubChem CID76974059
Molecular FormulaC10H20Cl2
Molecular Weight215.20 g/mol
Exact Mass214.12
IUPAC Name1,10-dichloro-1,1,10,10-tetradeuteriodecane
SMILES[2H]C([2H])(Cl)CCCCCCCCC([2H])([2H])Cl
InChIInChI=1S/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2/i9D2,10D2
InChIKeyRBBNTRDPSVZESY-YQUBHJMPSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,10-dichloro-1,1,10,10-tetradeuteriodecane?
The IUPAC name of 1,10-dichloro-1,1,10,10-tetradeuteriodecane (CID 76974059) is 1,10-dichloro-1,1,10,10-tetradeuteriodecane.
What is the SMILES notation for 1,10-dichloro-1,1,10,10-tetradeuteriodecane?
The canonical SMILES for 1,10-dichloro-1,1,10,10-tetradeuteriodecane is [2H]C([2H])(Cl)CCCCCCCCC([2H])([2H])Cl.
What is the InChIKey of 1,10-dichloro-1,1,10,10-tetradeuteriodecane?
The InChIKey is RBBNTRDPSVZESY-YQUBHJMPSA-N. The full InChI is InChI=1S/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2/i9D2,10D2.
What are the key properties of 1,10-dichloro-1,1,10,10-tetradeuteriodecane?
1,10-dichloro-1,1,10,10-tetradeuteriodecane has a molecular weight of 215.20 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dichloro-1,1,10,10-tetradeuteriodecane is sourced from PubChem (CID 76974059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).