cyclobutane;1,4-dioxane

C8H16O2 — CID 160886837

IUPACcyclobutane;1,4-dioxane
SMILESC1CCC1.C1COCCO1
InChIInChI=1S/C4H8O2.C4H8/c1-2-6-4-3-5-1;1-2-4-3-1/h1-4H2;1-4H2
InChIKeySNTCUMDIGIYHED-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds

About cyclobutane;1,4-dioxane

cyclobutane;1,4-dioxane (PubChem CID 160886837) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is cyclobutane;1,4-dioxane.

Molecular Properties

Compound Namecyclobutane;1,4-dioxane
PubChem CID160886837
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecyclobutane;1,4-dioxane
SMILESC1CCC1.C1COCCO1
InChIInChI=1S/C4H8O2.C4H8/c1-2-6-4-3-5-1;1-2-4-3-1/h1-4H2;1-4H2
InChIKeySNTCUMDIGIYHED-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7-trioxacyclotridecane
CID 118017817
1,4-dioxane
CID 161483686
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
1,4-dioxane;silver
CID 157261770

Frequently Asked Questions

What is the IUPAC name of cyclobutane;1,4-dioxane?
The IUPAC name of cyclobutane;1,4-dioxane (CID 160886837) is cyclobutane;1,4-dioxane.
What is the SMILES notation for cyclobutane;1,4-dioxane?
The canonical SMILES for cyclobutane;1,4-dioxane is C1CCC1.C1COCCO1.
What is the InChIKey of cyclobutane;1,4-dioxane?
The InChIKey is SNTCUMDIGIYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H8/c1-2-6-4-3-5-1;1-2-4-3-1/h1-4H2;1-4H2.
What are the key properties of cyclobutane;1,4-dioxane?
cyclobutane;1,4-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;1,4-dioxane is sourced from PubChem (CID 160886837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).