1,4-dibromo-7-chlorododecane

C12H23Br2Cl — CID 122583599

IUPAC1,4-dibromo-7-chlorododecane
SMILESCCCCCC(Cl)CCC(Br)CCCBr
InChIInChI=1S/C12H23Br2Cl/c1-2-3-4-7-12(15)9-8-11(14)6-5-10-13/h11-12H,2-10H2,1H3
InChIKeyCSKDGRUCXQWRQT-UHFFFAOYSA-N
MW362.58 g/mol
LogP5.89
Rot. Bonds10

About 1,4-dibromo-7-chlorododecane

1,4-dibromo-7-chlorododecane (PubChem CID 122583599) has the molecular formula C12H23Br2Cl and a molecular weight of 362.58 g/mol. Its IUPAC name is 1,4-dibromo-7-chlorododecane.

Molecular Properties

Compound Name1,4-dibromo-7-chlorododecane
PubChem CID122583599
Molecular FormulaC12H23Br2Cl
Molecular Weight362.58 g/mol
Exact Mass359.99
IUPAC Name1,4-dibromo-7-chlorododecane
SMILESCCCCCC(Cl)CCC(Br)CCCBr
InChIInChI=1S/C12H23Br2Cl/c1-2-3-4-7-12(15)9-8-11(14)6-5-10-13/h11-12H,2-10H2,1H3
InChIKeyCSKDGRUCXQWRQT-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 55.89
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

1,4-dibromononane
CID 123668754
1,6-dibromododecane
CID 18940788
1-bromo-3-chloropentadecane
CID 122583656
1,3-dibromoundecane
CID 122583600
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
17-chlorotritriacontane
CID 87852962
(3R)-1,3-dibromoheptane
CID 129379896
4-chlorotridecane
CID 63460920
4-chloropentadecane
CID 63459834

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-7-chlorododecane?
The IUPAC name of 1,4-dibromo-7-chlorododecane (CID 122583599) is 1,4-dibromo-7-chlorododecane.
What is the SMILES notation for 1,4-dibromo-7-chlorododecane?
The canonical SMILES for 1,4-dibromo-7-chlorododecane is CCCCCC(Cl)CCC(Br)CCCBr.
What is the InChIKey of 1,4-dibromo-7-chlorododecane?
The InChIKey is CSKDGRUCXQWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br2Cl/c1-2-3-4-7-12(15)9-8-11(14)6-5-10-13/h11-12H,2-10H2,1H3.
What are the key properties of 1,4-dibromo-7-chlorododecane?
1,4-dibromo-7-chlorododecane has a molecular weight of 362.58 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-7-chlorododecane is sourced from PubChem (CID 122583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).