trans-(1R,2R)-1,2-dichlorocyclohexane

C6H10Cl2 — CID 2723623

IUPACtrans-(1R,2R)-1,2-dichlorocyclohexane
SMILESCl[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyGZEZIBFVJYNETN-PHDIDXHHSA-N
MW153.05 g/mol
LogP2.78
Rot. Bonds

About trans-(1R,2R)-1,2-dichlorocyclohexane

trans-(1R,2R)-1,2-dichlorocyclohexane (PubChem CID 2723623) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-dichlorocyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-dichlorocyclohexane
PubChem CID2723623
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Nametrans-(1R,2R)-1,2-dichlorocyclohexane
SMILESCl[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyGZEZIBFVJYNETN-PHDIDXHHSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 52.78
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-(1R,2R)-1,2-dichlorocyclohexane?
The IUPAC name of trans-(1R,2R)-1,2-dichlorocyclohexane (CID 2723623) is trans-(1R,2R)-1,2-dichlorocyclohexane.
What is the SMILES notation for trans-(1R,2R)-1,2-dichlorocyclohexane?
The canonical SMILES for trans-(1R,2R)-1,2-dichlorocyclohexane is Cl[C@@H]1CCCC[C@H]1Cl.
What is the InChIKey of trans-(1R,2R)-1,2-dichlorocyclohexane?
The InChIKey is GZEZIBFVJYNETN-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-dichlorocyclohexane?
trans-(1R,2R)-1,2-dichlorocyclohexane has a molecular weight of 153.05 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-dichlorocyclohexane is sourced from PubChem (CID 2723623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).