10-bromo-1,1,1-trideuteriodecane

C10H21Br — CID 71308869

IUPAC10-bromo-1,1,1-trideuteriodecane
SMILES[2H]C([2H])([2H])CCCCCCCCCBr
InChIInChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3/i1D3
InChIKeyMYMSJFSOOQERIO-FIBGUPNXSA-N
MW224.20 g/mol
LogP4.52
Rot. Bonds9

About 10-bromo-1,1,1-trideuteriodecane

10-bromo-1,1,1-trideuteriodecane (PubChem CID 71308869) has the molecular formula C10H21Br and a molecular weight of 224.20 g/mol. Its IUPAC name is 10-bromo-1,1,1-trideuteriodecane.

Molecular Properties

Compound Name10-bromo-1,1,1-trideuteriodecane
PubChem CID71308869
Molecular FormulaC10H21Br
Molecular Weight224.20 g/mol
Exact Mass223.10
IUPAC Name10-bromo-1,1,1-trideuteriodecane
SMILES[2H]C([2H])([2H])CCCCCCCCCBr
InChIInChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3/i1D3
InChIKeyMYMSJFSOOQERIO-FIBGUPNXSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 54.52
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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Related Compounds

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1-bromooctane
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1-bromooctadecane
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CID 174415075
magnesium;1-bromopentadecane;hydride
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1-bromo-7,7-dideuterioundecane
CID 11075452
1,40-dibromotetracontane
CID 11614635
1-bromobutane;1,6-dibromohexane
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10,10,10-trideuteriodecan-1-ol
CID 132935619
1-bromohexadecane;N,N-diethylethanamine
CID 87113949
1-bromopropane;octadecane
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1,5-dibromopentane;molecular nitrogen
CID 164869645

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1,1,1-trideuteriodecane?
The IUPAC name of 10-bromo-1,1,1-trideuteriodecane (CID 71308869) is 10-bromo-1,1,1-trideuteriodecane.
What is the SMILES notation for 10-bromo-1,1,1-trideuteriodecane?
The canonical SMILES for 10-bromo-1,1,1-trideuteriodecane is [2H]C([2H])([2H])CCCCCCCCCBr.
What is the InChIKey of 10-bromo-1,1,1-trideuteriodecane?
The InChIKey is MYMSJFSOOQERIO-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3/i1D3.
What are the key properties of 10-bromo-1,1,1-trideuteriodecane?
10-bromo-1,1,1-trideuteriodecane has a molecular weight of 224.20 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-1,1,1-trideuteriodecane is sourced from PubChem (CID 71308869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).