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

C6H6Cl2O2 — CID 131845501

IUPACcis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
SMILESC[C@@]1(C(=O)Cl)C[C@@H]1C(=O)Cl
InChIInChI=1S/C6H6Cl2O2/c1-6(5(8)10)2-3(6)4(7)9/h3H,2H2,1H3/t3-,6-/m1/s1
InChIKeyZJHDQUFQYBPUNX-AWFVSMACSA-N
MW181.02 g/mol
LogP1.54
Rot. Bonds2

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

cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride (PubChem CID 131845501) has the molecular formula C6H6Cl2O2 and a molecular weight of 181.02 g/mol. Its IUPAC name is cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride.

Molecular Properties

Compound Namecis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
PubChem CID131845501
Molecular FormulaC6H6Cl2O2
Molecular Weight181.02 g/mol
Exact Mass179.97
IUPAC Namecis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
SMILESC[C@@]1(C(=O)Cl)C[C@@H]1C(=O)Cl
InChIInChI=1S/C6H6Cl2O2/c1-6(5(8)10)2-3(6)4(7)9/h3H,2H2,1H3/t3-,6-/m1/s1
InChIKeyZJHDQUFQYBPUNX-AWFVSMACSA-N
XLogP1.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.54
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

trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
CID 93494643
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid
CID 87222259
(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920
trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride
CID 165352423
2-methyl-2-prop-1-enylcyclopropane-1-carbonyl chloride
CID 57357803
(1R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride
CID 91532547
(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
CID 86307397
trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
CID 131853161
2,2,4,4-tetramethylcyclohexane-1-carbonyl chloride
CID 169447512
2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
CID 45081928
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
CID 88740342

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride?
The IUPAC name of cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride (CID 131845501) is cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride.
What is the SMILES notation for cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride?
The canonical SMILES for cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride is C[C@@]1(C(=O)Cl)C[C@@H]1C(=O)Cl.
What is the InChIKey of cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride?
The InChIKey is ZJHDQUFQYBPUNX-AWFVSMACSA-N. The full InChI is InChI=1S/C6H6Cl2O2/c1-6(5(8)10)2-3(6)4(7)9/h3H,2H2,1H3/t3-,6-/m1/s1.
What are the key properties of cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride?
cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride has a molecular weight of 181.02 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride is sourced from PubChem (CID 131845501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).