cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate

C22H41ClO10 — CID 158595485

IUPACcyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
SMILESCOCCOCCOCCO.COCCOCCOCCOC(=O)C1CC1.O=C(Cl)C1CC1
InChIInChI=1S/C11H20O5.C7H16O4.C4H5ClO/c1-13-4-5-14-6-7-15-8-9-16-11(12)10-2-3-10;1-9-4-5-11-7-6-10-3-2-8;5-4(6)3-1-2-3/h10H,2-9H2,1H3;8H,2-7H2,1H3;3H,1-2H2
InChIKeyHUYZCNAPDKEOGJ-UHFFFAOYSA-N
MW501.01 g/mol
LogP1.44
Rot. Bonds19

About cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate

cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate (PubChem CID 158595485) has the molecular formula C22H41ClO10 and a molecular weight of 501.01 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Namecyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
PubChem CID158595485
Molecular FormulaC22H41ClO10
Molecular Weight501.01 g/mol
Exact Mass500.24
IUPAC Namecyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
SMILESCOCCOCCOCCO.COCCOCCOCCOC(=O)C1CC1.O=C(Cl)C1CC1
InChIInChI=1S/C11H20O5.C7H16O4.C4H5ClO/c1-13-4-5-14-6-7-15-8-9-16-11(12)10-2-3-10;1-9-4-5-11-7-6-10-3-2-8;5-4(6)3-1-2-3/h10H,2-9H2,1H3;8H,2-7H2,1H3;3H,1-2H2
InChIKeyHUYZCNAPDKEOGJ-UHFFFAOYSA-N
XLogP1.44
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

cyclopropanecarbonyl chloride;2-[2-[2-(cyclopropanecarbonyloxy)ethoxy]ethoxy]ethyl cyclopropanecarboxylate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159662744
4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
CID 66984163
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 69099387
2-propoxyethyl 4-aminocyclohexane-1-carboxylate
CID 63684339
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
2-propoxyethyl cyclohexanecarboxylate
CID 66700127

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
The IUPAC name of cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate (CID 158595485) is cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate.
What is the SMILES notation for cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
The canonical SMILES for cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate is COCCOCCOCCO.COCCOCCOCCOC(=O)C1CC1.O=C(Cl)C1CC1.
What is the InChIKey of cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
The InChIKey is HUYZCNAPDKEOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5.C7H16O4.C4H5ClO/c1-13-4-5-14-6-7-15-8-9-16-11(12)10-2-3-10;1-9-4-5-11-7-6-10-3-2-8;5-4(6)3-1-2-3/h10H,2-9H2,1H3;8H,2-7H2,1H3;3H,1-2H2.
What are the key properties of cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate has a molecular weight of 501.01 g/mol, XLogP of 1.44, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate is sourced from PubChem (CID 158595485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).