2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate

C12H22O5 — CID 10192770

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
SMILESCOCCOCCOCCOC(=O)C1CCC1
InChIInChI=1S/C12H22O5/c1-14-5-6-15-7-8-16-9-10-17-12(13)11-3-2-4-11/h11H,2-10H2,1H3
InChIKeyRKEWTFOGNASNPF-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.01
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate (PubChem CID 10192770) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
PubChem CID10192770
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
SMILESCOCCOCCOCCOC(=O)C1CCC1
InChIInChI=1S/C12H22O5/c1-14-5-6-15-7-8-16-9-10-17-12(13)11-3-2-4-11/h11H,2-10H2,1H3
InChIKeyRKEWTFOGNASNPF-UHFFFAOYSA-N
XLogP1.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
2-methoxyethyl 3-aminocyclohexane-1-carboxylate
CID 63043382
cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
CID 158595485
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
2-butoxyethyl 3-aminocyclohexane-1-carboxylate
CID 55148657
2-propoxyethyl (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 157312533
2-fluoroethyl cyclobutanecarboxylate
CID 45090053
4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 69099387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate (CID 10192770) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate is COCCOCCOCCOC(=O)C1CCC1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate?
The InChIKey is RKEWTFOGNASNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-14-5-6-15-7-8-16-9-10-17-12(13)11-3-2-4-11/h11H,2-10H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate has a molecular weight of 246.30 g/mol, XLogP of 1.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate is sourced from PubChem (CID 10192770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).