(3R)-1,3-dibromoheptane

C7H14Br2 — CID 129379896

IUPAC(3R)-1,3-dibromoheptane
SMILESCCCC[C@@H](Br)CCBr
InChIInChI=1S/C7H14Br2/c1-2-3-4-7(9)5-6-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyYSHNCQWGGQDYBI-SSDOTTSWSA-N
MW258.00 g/mol
LogP3.73
Rot. Bonds5

About (3R)-1,3-dibromoheptane

(3R)-1,3-dibromoheptane (PubChem CID 129379896) has the molecular formula C7H14Br2 and a molecular weight of 258.00 g/mol. Its IUPAC name is (3R)-1,3-dibromoheptane.

Molecular Properties

Compound Name(3R)-1,3-dibromoheptane
PubChem CID129379896
Molecular FormulaC7H14Br2
Molecular Weight258.00 g/mol
Exact Mass255.95
IUPAC Name(3R)-1,3-dibromoheptane
SMILESCCCC[C@@H](Br)CCBr
InChIInChI=1S/C7H14Br2/c1-2-3-4-7(9)5-6-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyYSHNCQWGGQDYBI-SSDOTTSWSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromoundecane
CID 122583600
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
1,4-dibromononane
CID 123668754
1,6-dibromododecane
CID 18940788
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2,4-dibromooctane
CID 150795215
(2R)-2-bromohexan-1-ol
CID 131142096
1,4-dibromo-7-chlorododecane
CID 122583599
4-bromo-2-methyloctane;hydrobromide
CID 175067388
bromo(tributyl)phosphanium bromide
CID 11111219

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dibromoheptane?
The IUPAC name of (3R)-1,3-dibromoheptane (CID 129379896) is (3R)-1,3-dibromoheptane.
What is the SMILES notation for (3R)-1,3-dibromoheptane?
The canonical SMILES for (3R)-1,3-dibromoheptane is CCCC[C@@H](Br)CCBr.
What is the InChIKey of (3R)-1,3-dibromoheptane?
The InChIKey is YSHNCQWGGQDYBI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14Br2/c1-2-3-4-7(9)5-6-8/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1,3-dibromoheptane?
(3R)-1,3-dibromoheptane has a molecular weight of 258.00 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dibromoheptane is sourced from PubChem (CID 129379896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).