3-(oxan-2-yloxy)cyclobutan-1-ol

C9H16O3 — CID 155584587

IUPAC3-(oxan-2-yloxy)cyclobutan-1-ol
SMILESOC1CC(OC2CCCCO2)C1
InChIInChI=1S/C9H16O3/c10-7-5-8(6-7)12-9-3-1-2-4-11-9/h7-10H,1-6H2
InChIKeyPHEBXGUCSKLKEL-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.05
Rot. Bonds2

About 3-(oxan-2-yloxy)cyclobutan-1-ol

3-(oxan-2-yloxy)cyclobutan-1-ol (PubChem CID 155584587) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yloxy)cyclobutan-1-ol
PubChem CID155584587
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(oxan-2-yloxy)cyclobutan-1-ol
SMILESOC1CC(OC2CCCCO2)C1
InChIInChI=1S/C9H16O3/c10-7-5-8(6-7)12-9-3-1-2-4-11-9/h7-10H,1-6H2
InChIKeyPHEBXGUCSKLKEL-UHFFFAOYSA-N
XLogP1.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)cyclobutan-1-ol?
The IUPAC name of 3-(oxan-2-yloxy)cyclobutan-1-ol (CID 155584587) is 3-(oxan-2-yloxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(oxan-2-yloxy)cyclobutan-1-ol?
The canonical SMILES for 3-(oxan-2-yloxy)cyclobutan-1-ol is OC1CC(OC2CCCCO2)C1.
What is the InChIKey of 3-(oxan-2-yloxy)cyclobutan-1-ol?
The InChIKey is PHEBXGUCSKLKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-5-8(6-7)12-9-3-1-2-4-11-9/h7-10H,1-6H2.
What are the key properties of 3-(oxan-2-yloxy)cyclobutan-1-ol?
3-(oxan-2-yloxy)cyclobutan-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)cyclobutan-1-ol is sourced from PubChem (CID 155584587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).