2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride

C9H12Cl2O4 — CID 87657847

IUPAC2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride
SMILESO=C(Cl)COC1CCCC1OCC(=O)Cl
InChIInChI=1S/C9H12Cl2O4/c10-8(12)4-14-6-2-1-3-7(6)15-5-9(11)13/h6-7H,1-5H2
InChIKeyOMJWAUSDLLHCNF-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride

2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride (PubChem CID 87657847) has the molecular formula C9H12Cl2O4 and a molecular weight of 255.10 g/mol. Its IUPAC name is 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride.

Molecular Properties

Compound Name2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride
PubChem CID87657847
Molecular FormulaC9H12Cl2O4
Molecular Weight255.10 g/mol
Exact Mass254.01
IUPAC Name2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride
SMILESO=C(Cl)COC1CCCC1OCC(=O)Cl
InChIInChI=1S/C9H12Cl2O4/c10-8(12)4-14-6-2-1-3-7(6)15-5-9(11)13/h6-7H,1-5H2
InChIKeyOMJWAUSDLLHCNF-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
1-[(1R,2S)-2-aminocyclopentyl]oxypropan-2-one
CID 59454034
2-cyclobutylacetyl chloride
CID 14326266
[(3S,3aR,6R,6aS)-3-(2-chloro-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 162514537
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
CID 139512501
2-(2-aminocyclopentyl)oxy-N-carbamoylacetamide
CID 106938940
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370
2-(4-chloro-2-methylcyclohexyl)oxyacetic acid
CID 5259821
[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate
CID 4593962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride?
The IUPAC name of 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride (CID 87657847) is 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride.
What is the SMILES notation for 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride?
The canonical SMILES for 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride is O=C(Cl)COC1CCCC1OCC(=O)Cl.
What is the InChIKey of 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride?
The InChIKey is OMJWAUSDLLHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2O4/c10-8(12)4-14-6-2-1-3-7(6)15-5-9(11)13/h6-7H,1-5H2.
What are the key properties of 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride?
2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride has a molecular weight of 255.10 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride is sourced from PubChem (CID 87657847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).