cyclobutane;oxolane

C16H32O — CID 158733546

IUPACcyclobutane;oxolane
SMILESC1CCC1.C1CCC1.C1CCC1.C1CCOC1
InChIInChI=1S/C4H8O.3C4H8/c1-2-4-5-3-1;3*1-2-4-3-1/h1-4H2;3*1-4H2
InChIKeyILJUSQMNAFGKSA-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.48
Rot. Bonds

About cyclobutane;oxolane

cyclobutane;oxolane (PubChem CID 158733546) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is cyclobutane;oxolane.

Molecular Properties

Compound Namecyclobutane;oxolane
PubChem CID158733546
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Namecyclobutane;oxolane
SMILESC1CCC1.C1CCC1.C1CCC1.C1CCOC1
InChIInChI=1S/C4H8O.3C4H8/c1-2-4-5-3-1;3*1-2-4-3-1/h1-4H2;3*1-4H2
InChIKeyILJUSQMNAFGKSA-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
1,4,7-trioxacyclotridecane
CID 118017817
oxacyclotetradecane;dihydrate
CID 173194889
λ2-plumbane;oxane
CID 173444965
oxane;selane
CID 173094887
oxane dichloride
CID 19601825
oxane;zinc
CID 66716277

Frequently Asked Questions

What is the IUPAC name of cyclobutane;oxolane?
The IUPAC name of cyclobutane;oxolane (CID 158733546) is cyclobutane;oxolane.
What is the SMILES notation for cyclobutane;oxolane?
The canonical SMILES for cyclobutane;oxolane is C1CCC1.C1CCC1.C1CCC1.C1CCOC1.
What is the InChIKey of cyclobutane;oxolane?
The InChIKey is ILJUSQMNAFGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.3C4H8/c1-2-4-5-3-1;3*1-2-4-3-1/h1-4H2;3*1-4H2.
What are the key properties of cyclobutane;oxolane?
cyclobutane;oxolane has a molecular weight of 240.43 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;oxolane is sourced from PubChem (CID 158733546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).