5-tert-butyloxolan-3-one

C8H14O2 — CID 15310464

IUPAC5-tert-butyloxolan-3-one
SMILESCC(C)(C)C1CC(=O)CO1
InChIInChI=1S/C8H14O2/c1-8(2,3)7-4-6(9)5-10-7/h7H,4-5H2,1-3H3
InChIKeyUOYBSXZBFURUMC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds

About 5-tert-butyloxolan-3-one

5-tert-butyloxolan-3-one (PubChem CID 15310464) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-tert-butyloxolan-3-one.

Molecular Properties

Compound Name5-tert-butyloxolan-3-one
PubChem CID15310464
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-tert-butyloxolan-3-one
SMILESCC(C)(C)C1CC(=O)CO1
InChIInChI=1S/C8H14O2/c1-8(2,3)7-4-6(9)5-10-7/h7H,4-5H2,1-3H3
InChIKeyUOYBSXZBFURUMC-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyloxolan-3-one?
The IUPAC name of 5-tert-butyloxolan-3-one (CID 15310464) is 5-tert-butyloxolan-3-one.
What is the SMILES notation for 5-tert-butyloxolan-3-one?
The canonical SMILES for 5-tert-butyloxolan-3-one is CC(C)(C)C1CC(=O)CO1.
What is the InChIKey of 5-tert-butyloxolan-3-one?
The InChIKey is UOYBSXZBFURUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2,3)7-4-6(9)5-10-7/h7H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyloxolan-3-one?
5-tert-butyloxolan-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyloxolan-3-one is sourced from PubChem (CID 15310464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).