6,6-dibutyloxan-2-one

C13H24O2 — CID 10822452

IUPAC6,6-dibutyloxan-2-one
SMILESCCCCC1(CCCC)CCCC(=O)O1
InChIInChI=1S/C13H24O2/c1-3-5-9-13(10-6-4-2)11-7-8-12(14)15-13/h3-11H2,1-2H3
InChIKeyRAYKYSFPVPDJKX-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.83
Rot. Bonds6

About 6,6-dibutyloxan-2-one

6,6-dibutyloxan-2-one (PubChem CID 10822452) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6,6-dibutyloxan-2-one.

Molecular Properties

Compound Name6,6-dibutyloxan-2-one
PubChem CID10822452
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6,6-dibutyloxan-2-one
SMILESCCCCC1(CCCC)CCCC(=O)O1
InChIInChI=1S/C13H24O2/c1-3-5-9-13(10-6-4-2)11-7-8-12(14)15-13/h3-11H2,1-2H3
InChIKeyRAYKYSFPVPDJKX-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dibutyloxan-2-one?
The IUPAC name of 6,6-dibutyloxan-2-one (CID 10822452) is 6,6-dibutyloxan-2-one.
What is the SMILES notation for 6,6-dibutyloxan-2-one?
The canonical SMILES for 6,6-dibutyloxan-2-one is CCCCC1(CCCC)CCCC(=O)O1.
What is the InChIKey of 6,6-dibutyloxan-2-one?
The InChIKey is RAYKYSFPVPDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-9-13(10-6-4-2)11-7-8-12(14)15-13/h3-11H2,1-2H3.
What are the key properties of 6,6-dibutyloxan-2-one?
6,6-dibutyloxan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dibutyloxan-2-one is sourced from PubChem (CID 10822452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).