trans-(1S,3S)-1,3-dibromocyclohexane

C6H10Br2 — CID 71350655

IUPACtrans-(1S,3S)-1,3-dibromocyclohexane
SMILESBr[C@H]1CCC[C@H](Br)C1
InChIInChI=1S/C6H10Br2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyIHAGUHVDXDPWCN-WDSKDSINSA-N
MW241.95 g/mol
LogP3.09
Rot. Bonds

About trans-(1S,3S)-1,3-dibromocyclohexane

trans-(1S,3S)-1,3-dibromocyclohexane (PubChem CID 71350655) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is trans-(1S,3S)-1,3-dibromocyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1,3-dibromocyclohexane
PubChem CID71350655
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Nametrans-(1S,3S)-1,3-dibromocyclohexane
SMILESBr[C@H]1CCC[C@H](Br)C1
InChIInChI=1S/C6H10Br2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyIHAGUHVDXDPWCN-WDSKDSINSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,3-dibromocyclohexane?
The IUPAC name of trans-(1S,3S)-1,3-dibromocyclohexane (CID 71350655) is trans-(1S,3S)-1,3-dibromocyclohexane.
What is the SMILES notation for trans-(1S,3S)-1,3-dibromocyclohexane?
The canonical SMILES for trans-(1S,3S)-1,3-dibromocyclohexane is Br[C@H]1CCC[C@H](Br)C1.
What is the InChIKey of trans-(1S,3S)-1,3-dibromocyclohexane?
The InChIKey is IHAGUHVDXDPWCN-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10Br2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-1,3-dibromocyclohexane?
trans-(1S,3S)-1,3-dibromocyclohexane has a molecular weight of 241.95 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1,3-dibromocyclohexane is sourced from PubChem (CID 71350655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).