cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride

C8H10Cl2O2 — CID 12501621

IUPACcis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride
SMILESO=C(Cl)[C@H]1CCCC[C@H]1C(=O)Cl
InChIInChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2/t5-,6+
InChIKeyYKZFIPRBWVEQBE-OLQVQODUSA-N
MW209.07 g/mol
LogP2.32
Rot. Bonds2

About cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride

cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride (PubChem CID 12501621) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride.

Molecular Properties

Compound Namecis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride
PubChem CID12501621
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Namecis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride
SMILESO=C(Cl)[C@H]1CCCC[C@H]1C(=O)Cl
InChIInChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2/t5-,6+
InChIKeyYKZFIPRBWVEQBE-OLQVQODUSA-N
XLogP2.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride?
The IUPAC name of cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride (CID 12501621) is cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride.
What is the SMILES notation for cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride?
The canonical SMILES for cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride is O=C(Cl)[C@H]1CCCC[C@H]1C(=O)Cl.
What is the InChIKey of cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride?
The InChIKey is YKZFIPRBWVEQBE-OLQVQODUSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2/t5-,6+.
What are the key properties of cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride?
cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride has a molecular weight of 209.07 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-cyclohexane-1,2-dicarbonyl chloride is sourced from PubChem (CID 12501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).