3-butyl-2H-oxete

C7H12O — CID 141123822

IUPAC3-butyl-2H-oxete
SMILESCCCCC1=COC1
InChIInChI=1S/C7H12O/c1-2-3-4-7-5-8-6-7/h5H,2-4,6H2,1H3
InChIKeyOCUWJFFGUIVLCG-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.09
Rot. Bonds3

About 3-butyl-2H-oxete

3-butyl-2H-oxete (PubChem CID 141123822) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-butyl-2H-oxete.

Molecular Properties

Compound Name3-butyl-2H-oxete
PubChem CID141123822
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-butyl-2H-oxete
SMILESCCCCC1=COC1
InChIInChI=1S/C7H12O/c1-2-3-4-7-5-8-6-7/h5H,2-4,6H2,1H3
InChIKeyOCUWJFFGUIVLCG-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
1-pentylcyclopropene
CID 159067584
4-butyl-2,3-dihydro-1H-pyrrole
CID 147736582
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
1-butylcyclononene
CID 56981158
1-hexylcyclobutene
CID 86205685
4-butyl-1,2-dimethyl-2,5-dihydropyrrole
CID 15505992
3-butylcyclopent-2-en-1-ol
CID 65174589
3-butyl-2H-pyrrol-5-amine
CID 70140066
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-heptadecyloxirene
CID 91445376

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2H-oxete?
The IUPAC name of 3-butyl-2H-oxete (CID 141123822) is 3-butyl-2H-oxete.
What is the SMILES notation for 3-butyl-2H-oxete?
The canonical SMILES for 3-butyl-2H-oxete is CCCCC1=COC1.
What is the InChIKey of 3-butyl-2H-oxete?
The InChIKey is OCUWJFFGUIVLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-4-7-5-8-6-7/h5H,2-4,6H2,1H3.
What are the key properties of 3-butyl-2H-oxete?
3-butyl-2H-oxete has a molecular weight of 112.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2H-oxete is sourced from PubChem (CID 141123822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).