4-butan-2-yloxolan-2-one

C8H14O2 — CID 142297486

IUPAC4-butan-2-yloxolan-2-one
SMILESCCC(C)C1COC(=O)C1
InChIInChI=1S/C8H14O2/c1-3-6(2)7-4-8(9)10-5-7/h6-7H,3-5H2,1-2H3
InChIKeyFNYQJCVISBFXDR-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds2

About 4-butan-2-yloxolan-2-one

4-butan-2-yloxolan-2-one (PubChem CID 142297486) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-butan-2-yloxolan-2-one.

Molecular Properties

Compound Name4-butan-2-yloxolan-2-one
PubChem CID142297486
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-butan-2-yloxolan-2-one
SMILESCCC(C)C1COC(=O)C1
InChIInChI=1S/C8H14O2/c1-3-6(2)7-4-8(9)10-5-7/h6-7H,3-5H2,1-2H3
InChIKeyFNYQJCVISBFXDR-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxolan-2-one?
The IUPAC name of 4-butan-2-yloxolan-2-one (CID 142297486) is 4-butan-2-yloxolan-2-one.
What is the SMILES notation for 4-butan-2-yloxolan-2-one?
The canonical SMILES for 4-butan-2-yloxolan-2-one is CCC(C)C1COC(=O)C1.
What is the InChIKey of 4-butan-2-yloxolan-2-one?
The InChIKey is FNYQJCVISBFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-6(2)7-4-8(9)10-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-butan-2-yloxolan-2-one?
4-butan-2-yloxolan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxolan-2-one is sourced from PubChem (CID 142297486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).