oxetane;pentan-2-one

C8H16O2 — CID 159710624

IUPACoxetane;pentan-2-one
SMILESC1COC1.CCCC(C)=O
InChIInChI=1S/C5H10O.C3H6O/c1-3-4-5(2)6;1-2-4-3-1/h3-4H2,1-2H3;1-3H2
InChIKeyMYUDXPDTDLCVRZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds2

About oxetane;pentan-2-one

oxetane;pentan-2-one (PubChem CID 159710624) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is oxetane;pentan-2-one.

Molecular Properties

Compound Nameoxetane;pentan-2-one
PubChem CID159710624
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameoxetane;pentan-2-one
SMILESC1COC1.CCCC(C)=O
InChIInChI=1S/C5H10O.C3H6O/c1-3-4-5(2)6;1-2-4-3-1/h3-4H2,1-2H3;1-3H2
InChIKeyMYUDXPDTDLCVRZ-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxolane;pentan-2-one
CID 174917924
pentan-2-one;zinc
CID 88629307
palladium;pentan-2-one
CID 174766041
CID 171375174
CID 171375174
CID 158726547
CID 158726547
butane-2,3-dione;pentan-2-one
CID 160941626
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
pentan-2-one;propanoic acid
CID 162011313
octane-2,6-dione;oxolane
CID 174943370
cyclohexane;heptan-2-one
CID 159731064
2-methylbutan-2-ol;pentan-2-one
CID 88715177
butanoic acid;1,4-dioxane
CID 68820092

Frequently Asked Questions

What is the IUPAC name of oxetane;pentan-2-one?
The IUPAC name of oxetane;pentan-2-one (CID 159710624) is oxetane;pentan-2-one.
What is the SMILES notation for oxetane;pentan-2-one?
The canonical SMILES for oxetane;pentan-2-one is C1COC1.CCCC(C)=O.
What is the InChIKey of oxetane;pentan-2-one?
The InChIKey is MYUDXPDTDLCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H6O/c1-3-4-5(2)6;1-2-4-3-1/h3-4H2,1-2H3;1-3H2.
What are the key properties of oxetane;pentan-2-one?
oxetane;pentan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxetane;pentan-2-one is sourced from PubChem (CID 159710624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).