trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride

C8H10Cl2O2 — CID 12501622

IUPACtrans-(1R,2R)-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-/m1/s1
InChIKeyYKZFIPRBWVEQBE-PHDIDXHHSA-N
MW209.07 g/mol
LogP2.32
Rot. Bonds2

About trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride

trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride (PubChem CID 12501622) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride
PubChem CID12501622
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Nametrans-(1R,2R)-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-/m1/s1
InChIKeyYKZFIPRBWVEQBE-PHDIDXHHSA-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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Related Compounds

2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
3-methylcyclohexane-1,2-dicarbonyl chloride
CID 142725908
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
cis-tetradecyl (1S,2R)-2-carbonochloridoylcyclohexane-1-carboxylate
CID 139880167
9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride
CID 122403035
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
(1S,2S,4S)-2,4-dimethylcyclohexane-1-carbonyl chloride
CID 89393215
1-[(1R,2R)-2-chlorocyclohexyl]ethanone
CID 130848700
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride?
The IUPAC name of trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride (CID 12501622) is trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride.
What is the SMILES notation for trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride?
The canonical SMILES for trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride is O=C(Cl)[C@@H]1CCCC[C@H]1C(=O)Cl.
What is the InChIKey of trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride?
The InChIKey is YKZFIPRBWVEQBE-PHDIDXHHSA-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-/m1/s1.
What are the key properties of trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride?
trans-(1R,2R)-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 trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride is sourced from PubChem (CID 12501622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).