oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate

C13H22O4 — CID 75514514

IUPACoxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate
SMILESCOCCC1(C(=O)OC2CCOCC2)CCC1
InChIInChI=1S/C13H22O4/c1-15-10-7-13(5-2-6-13)12(14)17-11-3-8-16-9-4-11/h11H,2-10H2,1H3
InChIKeyIEJPTWWPRIYDIH-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.92
Rot. Bonds5

About oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate

oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate (PubChem CID 75514514) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate
PubChem CID75514514
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameoxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate
SMILESCOCCC1(C(=O)OC2CCOCC2)CCC1
InChIInChI=1S/C13H22O4/c1-15-10-7-13(5-2-6-13)12(14)17-11-3-8-16-9-4-11/h11H,2-10H2,1H3
InChIKeyIEJPTWWPRIYDIH-UHFFFAOYSA-N
XLogP1.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate?
The IUPAC name of oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate (CID 75514514) is oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate?
The canonical SMILES for oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate is COCCC1(C(=O)OC2CCOCC2)CCC1.
What is the InChIKey of oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate?
The InChIKey is IEJPTWWPRIYDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-15-10-7-13(5-2-6-13)12(14)17-11-3-8-16-9-4-11/h11H,2-10H2,1H3.
What are the key properties of oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate?
oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 75514514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).