3-(oxan-4-ylmethoxy)cyclobutan-1-one

C10H16O3 — CID 66369304

IUPAC3-(oxan-4-ylmethoxy)cyclobutan-1-one
SMILESO=C1CC(OCC2CCOCC2)C1
InChIInChI=1S/C10H16O3/c11-9-5-10(6-9)13-7-8-1-3-12-4-2-8/h8,10H,1-7H2
InChIKeyKCHKAZBNGWHWKI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.16
Rot. Bonds3

About 3-(oxan-4-ylmethoxy)cyclobutan-1-one

3-(oxan-4-ylmethoxy)cyclobutan-1-one (PubChem CID 66369304) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-(oxan-4-ylmethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(oxan-4-ylmethoxy)cyclobutan-1-one
PubChem CID66369304
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-(oxan-4-ylmethoxy)cyclobutan-1-one
SMILESO=C1CC(OCC2CCOCC2)C1
InChIInChI=1S/C10H16O3/c11-9-5-10(6-9)13-7-8-1-3-12-4-2-8/h8,10H,1-7H2
InChIKeyKCHKAZBNGWHWKI-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethoxy)cyclobutan-1-one?
The IUPAC name of 3-(oxan-4-ylmethoxy)cyclobutan-1-one (CID 66369304) is 3-(oxan-4-ylmethoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(oxan-4-ylmethoxy)cyclobutan-1-one?
The canonical SMILES for 3-(oxan-4-ylmethoxy)cyclobutan-1-one is O=C1CC(OCC2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-ylmethoxy)cyclobutan-1-one?
The InChIKey is KCHKAZBNGWHWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-5-10(6-9)13-7-8-1-3-12-4-2-8/h8,10H,1-7H2.
What are the key properties of 3-(oxan-4-ylmethoxy)cyclobutan-1-one?
3-(oxan-4-ylmethoxy)cyclobutan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethoxy)cyclobutan-1-one is sourced from PubChem (CID 66369304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).