(2-oxocyclododecyl) acetate

C14H24O3 — CID 12723137

IUPAC(2-oxocyclododecyl) acetate
SMILESCC(=O)OC1CCCCCCCCCCC1=O
InChIInChI=1S/C14H24O3/c1-12(15)17-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h14H,2-11H2,1H3
InChIKeyNNIWFQDGZUCXBB-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.40
Rot. Bonds1

About (2-oxocyclododecyl) acetate

(2-oxocyclododecyl) acetate (PubChem CID 12723137) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2-oxocyclododecyl) acetate.

Molecular Properties

Compound Name(2-oxocyclododecyl) acetate
PubChem CID12723137
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2-oxocyclododecyl) acetate
SMILESCC(=O)OC1CCCCCCCCCCC1=O
InChIInChI=1S/C14H24O3/c1-12(15)17-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h14H,2-11H2,1H3
InChIKeyNNIWFQDGZUCXBB-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclododecyl) acetate?
The IUPAC name of (2-oxocyclododecyl) acetate (CID 12723137) is (2-oxocyclododecyl) acetate.
What is the SMILES notation for (2-oxocyclododecyl) acetate?
The canonical SMILES for (2-oxocyclododecyl) acetate is CC(=O)OC1CCCCCCCCCCC1=O.
What is the InChIKey of (2-oxocyclododecyl) acetate?
The InChIKey is NNIWFQDGZUCXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-12(15)17-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h14H,2-11H2,1H3.
What are the key properties of (2-oxocyclododecyl) acetate?
(2-oxocyclododecyl) acetate has a molecular weight of 240.34 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclododecyl) acetate is sourced from PubChem (CID 12723137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).