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

C6H10Cl2 — CID 22214628

IUPACtrans-(1S,3S)-1,3-dichlorocyclohexane
SMILESCl[C@H]1CCC[C@H](Cl)C1
InChIInChI=1S/C6H10Cl2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyHXWLCXAXTOJPJL-WDSKDSINSA-N
MW153.05 g/mol
LogP2.78
Rot. Bonds

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

trans-(1S,3S)-1,3-dichlorocyclohexane (PubChem CID 22214628) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is trans-(1S,3S)-1,3-dichlorocyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1,3-dichlorocyclohexane
PubChem CID22214628
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Nametrans-(1S,3S)-1,3-dichlorocyclohexane
SMILESCl[C@H]1CCC[C@H](Cl)C1
InChIInChI=1S/C6H10Cl2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyHXWLCXAXTOJPJL-WDSKDSINSA-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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Related Compounds

Chlorocyclohexane
CID 10952
1,6-Dichlorohexane
CID 16551
1,2-Dichlorocyclohexane, trans-
CID 2723623
1,4-dichloro-Cyclohexane
CID 519304
1,2-Dichlorocyclohexane
CID 13202
cis-1,2-Dichlorocyclohexane
CID 66334
Cyclohexane, 1,2-dichloro-, trans-
CID 12437603
1,3-Dichlorocyclohexane (cis)
CID 32749
1,1,3-Trichlorocyclohexane
CID 14451315
1,3,5-Trichlorocyclohexane
CID 19898504
1,1,4-Trichlorocyclohexane
CID 91753300
1,3-Dichlorocyclohexane
CID 557105

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,3-dichlorocyclohexane?
The IUPAC name of trans-(1S,3S)-1,3-dichlorocyclohexane (CID 22214628) is trans-(1S,3S)-1,3-dichlorocyclohexane.
What is the SMILES notation for trans-(1S,3S)-1,3-dichlorocyclohexane?
The canonical SMILES for trans-(1S,3S)-1,3-dichlorocyclohexane is Cl[C@H]1CCC[C@H](Cl)C1.
What is the InChIKey of trans-(1S,3S)-1,3-dichlorocyclohexane?
The InChIKey is HXWLCXAXTOJPJL-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10Cl2/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-dichlorocyclohexane?
trans-(1S,3S)-1,3-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-(1S,3S)-1,3-dichlorocyclohexane is sourced from PubChem (CID 22214628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).