1,3-dioxacyclopentadecane-4,15-dione

C13H22O4 — CID 54430729

IUPAC1,3-dioxacyclopentadecane-4,15-dione
SMILESO=C1CCCCCCCCCCC(=O)OCO1
InChIInChI=1S/C13H22O4/c14-12-9-7-5-3-1-2-4-6-8-10-13(15)17-11-16-12/h1-11H2
InChIKeyWHGSAZMOVSYOCX-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.94
Rot. Bonds

About 1,3-dioxacyclopentadecane-4,15-dione

1,3-dioxacyclopentadecane-4,15-dione (PubChem CID 54430729) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1,3-dioxacyclopentadecane-4,15-dione.

Molecular Properties

Compound Name1,3-dioxacyclopentadecane-4,15-dione
PubChem CID54430729
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1,3-dioxacyclopentadecane-4,15-dione
SMILESO=C1CCCCCCCCCCC(=O)OCO1
InChIInChI=1S/C13H22O4/c14-12-9-7-5-3-1-2-4-6-8-10-13(15)17-11-16-12/h1-11H2
InChIKeyWHGSAZMOVSYOCX-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxacyclopentadecane-4,15-dione?
The IUPAC name of 1,3-dioxacyclopentadecane-4,15-dione (CID 54430729) is 1,3-dioxacyclopentadecane-4,15-dione.
What is the SMILES notation for 1,3-dioxacyclopentadecane-4,15-dione?
The canonical SMILES for 1,3-dioxacyclopentadecane-4,15-dione is O=C1CCCCCCCCCCC(=O)OCO1.
What is the InChIKey of 1,3-dioxacyclopentadecane-4,15-dione?
The InChIKey is WHGSAZMOVSYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c14-12-9-7-5-3-1-2-4-6-8-10-13(15)17-11-16-12/h1-11H2.
What are the key properties of 1,3-dioxacyclopentadecane-4,15-dione?
1,3-dioxacyclopentadecane-4,15-dione has a molecular weight of 242.31 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxacyclopentadecane-4,15-dione is sourced from PubChem (CID 54430729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).