[2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate

C10H16Cl2O4 — CID 123591851

IUPAC[2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate
SMILESCCC(C)(COC(=O)CCl)COC(=O)CCl
InChIInChI=1S/C10H16Cl2O4/c1-3-10(2,6-15-8(13)4-11)7-16-9(14)5-12/h3-7H2,1-2H3
InChIKeyZTERETKRMFUIHG-UHFFFAOYSA-N
MW271.14 g/mol
LogP1.97
Rot. Bonds7

About [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate

[2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate (PubChem CID 123591851) has the molecular formula C10H16Cl2O4 and a molecular weight of 271.14 g/mol. Its IUPAC name is [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate.

Molecular Properties

Compound Name[2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate
PubChem CID123591851
Molecular FormulaC10H16Cl2O4
Molecular Weight271.14 g/mol
Exact Mass270.04
IUPAC Name[2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate
SMILESCCC(C)(COC(=O)CCl)COC(=O)CCl
InChIInChI=1S/C10H16Cl2O4/c1-3-10(2,6-15-8(13)4-11)7-16-9(14)5-12/h3-7H2,1-2H3
InChIKeyZTERETKRMFUIHG-UHFFFAOYSA-N
XLogP1.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-2-(propanoyloxymethyl)butyl] propanoate
CID 89167745
ethyl 2-chloroacetate
CID 7751
[3-(2-chloroacetyl)oxy-2,2-dimethylpropyl] 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 88566362
2,2-dimethylpropyl 3-[3-[[3-(2-ethyl-2,4,4-trimethylpentoxy)-3-oxopropyl]amino]propylamino]propanoate
CID 91191101
[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 2-chloroacetate
CID 88750003
[2-(formyloxymethyl)-2-methyl-3-propanoyloxypropyl] propanoate
CID 87346259
[2-methyl-3-pentadecanoyloxy-2-(pentadecanoyloxymethyl)propyl] pentadecanoate
CID 102240326
[2-methyl-3-(3-sulfanylpentanoyloxy)-2-(3-sulfanylpentanoyloxymethyl)propyl] 3-sulfanylpentanoate
CID 87480149
(1-amino-2-hydroxybutan-2-yl) 2-chloroacetate
CID 139625549
(2-ethyl-2-methylhexyl) acetate
CID 90020501
2,2-dimethylbutyl 3,3,4,4,4-pentafluorobutanoate
CID 162194215
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate?
The IUPAC name of [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate (CID 123591851) is [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate.
What is the SMILES notation for [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate?
The canonical SMILES for [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate is CCC(C)(COC(=O)CCl)COC(=O)CCl.
What is the InChIKey of [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate?
The InChIKey is ZTERETKRMFUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O4/c1-3-10(2,6-15-8(13)4-11)7-16-9(14)5-12/h3-7H2,1-2H3.
What are the key properties of [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate?
[2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate has a molecular weight of 271.14 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloroacetyl)oxymethyl]-2-methylbutyl] 2-chloroacetate is sourced from PubChem (CID 123591851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).