3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride

C11H18Cl2O5 — CID 91117120

IUPAC3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride
SMILESCCC(OCCOC)OC(CC(=O)Cl)CC(=O)Cl
InChIInChI=1S/C11H18Cl2O5/c1-3-11(17-5-4-16-2)18-8(6-9(12)14)7-10(13)15/h8,11H,3-7H2,1-2H3
InChIKeyAYOOSQIQVONCHB-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.08
Rot. Bonds11

About 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride

3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride (PubChem CID 91117120) has the molecular formula C11H18Cl2O5 and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride.

Molecular Properties

Compound Name3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride
PubChem CID91117120
Molecular FormulaC11H18Cl2O5
Molecular Weight301.17 g/mol
Exact Mass300.05
IUPAC Name3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride
SMILESCCC(OCCOC)OC(CC(=O)Cl)CC(=O)Cl
InChIInChI=1S/C11H18Cl2O5/c1-3-11(17-5-4-16-2)18-8(6-9(12)14)7-10(13)15/h8,11H,3-7H2,1-2H3
InChIKeyAYOOSQIQVONCHB-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
3,3-diethoxypropanoyl chloride
CID 86719470
3-methoxyhexanoyl chloride
CID 123861555
methyl 4-chloro-2-ethyl-4-oxobutanoate
CID 21338185
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
2,2-bis(2-methoxyethoxy)ethyl-trichlorosilane
CID 153425478
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
3,5-bis(2-methoxyethoxy)hexanamide
CID 177091075
1-butoxypropyl methyl carbonate
CID 87247964
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
2-(2-methoxyethoxy)butanamide
CID 62900293
3,5-bis(2-methoxyethoxy)hexanoyl azide
CID 177091074

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride?
The IUPAC name of 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride (CID 91117120) is 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride.
What is the SMILES notation for 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride?
The canonical SMILES for 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride is CCC(OCCOC)OC(CC(=O)Cl)CC(=O)Cl.
What is the InChIKey of 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride?
The InChIKey is AYOOSQIQVONCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2O5/c1-3-11(17-5-4-16-2)18-8(6-9(12)14)7-10(13)15/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride?
3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride has a molecular weight of 301.17 g/mol, XLogP of 2.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethoxy)propoxy]pentanedioyl dichloride is sourced from PubChem (CID 91117120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).