1-bromo-8-chlorodecane

C10H20BrCl — CID 87925762

IUPAC1-bromo-8-chlorodecane
SMILESCCC(Cl)CCCCCCCBr
InChIInChI=1S/C10H20BrCl/c1-2-10(12)8-6-4-3-5-7-9-11/h10H,2-9H2,1H3
InChIKeyJFRXAUDNGBFLMP-UHFFFAOYSA-N
MW255.63 g/mol
LogP4.74
Rot. Bonds8

About 1-bromo-8-chlorodecane

1-bromo-8-chlorodecane (PubChem CID 87925762) has the molecular formula C10H20BrCl and a molecular weight of 255.63 g/mol. Its IUPAC name is 1-bromo-8-chlorodecane.

Molecular Properties

Compound Name1-bromo-8-chlorodecane
PubChem CID87925762
Molecular FormulaC10H20BrCl
Molecular Weight255.63 g/mol
Exact Mass254.04
IUPAC Name1-bromo-8-chlorodecane
SMILESCCC(Cl)CCCCCCCBr
InChIInChI=1S/C10H20BrCl/c1-2-10(12)8-6-4-3-5-7-9-11/h10H,2-9H2,1H3
InChIKeyJFRXAUDNGBFLMP-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 54.74
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

1-bromo-5-chloroheptane
CID 141486133
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1-bromo-6-chloroheptane
CID 66509132
1-bromo-3-chloropentadecane
CID 122583656
1-bromo-10-methyldodecane
CID 15569726
12-bromododecan-3-ol
CID 10706786
8-chlorodec-1-ene
CID 64507974
methyl 9-chloroundecanoate
CID 12772138
21-chlorotricosanoic acid
CID 88635838
1-bromo-11-methyldodecane
CID 15569727
17-chlorotritriacontane
CID 87852962

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-chlorodecane?
The IUPAC name of 1-bromo-8-chlorodecane (CID 87925762) is 1-bromo-8-chlorodecane.
What is the SMILES notation for 1-bromo-8-chlorodecane?
The canonical SMILES for 1-bromo-8-chlorodecane is CCC(Cl)CCCCCCCBr.
What is the InChIKey of 1-bromo-8-chlorodecane?
The InChIKey is JFRXAUDNGBFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrCl/c1-2-10(12)8-6-4-3-5-7-9-11/h10H,2-9H2,1H3.
What are the key properties of 1-bromo-8-chlorodecane?
1-bromo-8-chlorodecane has a molecular weight of 255.63 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-chlorodecane is sourced from PubChem (CID 87925762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).