1-deuteriodecane

C10H22 — CID 10877229

IUPAC1-deuteriodecane
SMILES[2H]CCCCCCCCCC
InChIInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3/i1D
InChIKeyDIOQZVSQGTUSAI-MICDWDOJSA-N
MW143.29 g/mol
LogP4.15
Rot. Bonds8

About 1-deuteriodecane

1-deuteriodecane (PubChem CID 10877229) has the molecular formula C10H22 and a molecular weight of 143.29 g/mol. Its IUPAC name is 1-deuteriodecane.

Molecular Properties

Compound Name1-deuteriodecane
PubChem CID10877229
Molecular FormulaC10H22
Molecular Weight143.29 g/mol
Exact Mass143.18
IUPAC Name1-deuteriodecane
SMILES[2H]CCCCCCCCCC
InChIInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3/i1D
InChIKeyDIOQZVSQGTUSAI-MICDWDOJSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.29
LogP ≤ 54.15
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

1-deuteriononadecane
CID 175850975
1-deuterioheptane
CID 59547460
1,7-dideuterioheptane
CID 150574490
1,16-dideuteriohexadecane
CID 150004781
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of 1-deuteriodecane?
The IUPAC name of 1-deuteriodecane (CID 10877229) is 1-deuteriodecane.
What is the SMILES notation for 1-deuteriodecane?
The canonical SMILES for 1-deuteriodecane is [2H]CCCCCCCCCC.
What is the InChIKey of 1-deuteriodecane?
The InChIKey is DIOQZVSQGTUSAI-MICDWDOJSA-N. The full InChI is InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3/i1D.
What are the key properties of 1-deuteriodecane?
1-deuteriodecane has a molecular weight of 143.29 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriodecane is sourced from PubChem (CID 10877229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).