1,8-dioxacyclopentadecane-2,7-dione

C13H22O4 — CID 172688052

IUPAC1,8-dioxacyclopentadecane-2,7-dione
SMILESO=C1CCCCC(=O)OCCCCCCCO1
InChIInChI=1S/C13H22O4/c14-12-8-4-5-9-13(15)17-11-7-3-1-2-6-10-16-12/h1-11H2
InChIKeyBHMDWJBBMBRMGA-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.60
Rot. Bonds

About 1,8-dioxacyclopentadecane-2,7-dione

1,8-dioxacyclopentadecane-2,7-dione (PubChem CID 172688052) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1,8-dioxacyclopentadecane-2,7-dione.

Molecular Properties

Compound Name1,8-dioxacyclopentadecane-2,7-dione
PubChem CID172688052
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1,8-dioxacyclopentadecane-2,7-dione
SMILESO=C1CCCCC(=O)OCCCCCCCO1
InChIInChI=1S/C13H22O4/c14-12-8-4-5-9-13(15)17-11-7-3-1-2-6-10-16-12/h1-11H2
InChIKeyBHMDWJBBMBRMGA-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
formonitrile;oxepan-2-one
CID 174857419
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
1,6-dioxacyclohexacosane-2,5-dione
CID 121270960
1,6-dioxacyclohexadecane-2,5-dione
CID 22483454
1,5-dioxacycloheptadecan-6-one
CID 101379829
aziridine;oxepan-2-one
CID 170852282
oxepan-2-one;silyloxysilane
CID 173274127
bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
CID 159713832

Frequently Asked Questions

What is the IUPAC name of 1,8-dioxacyclopentadecane-2,7-dione?
The IUPAC name of 1,8-dioxacyclopentadecane-2,7-dione (CID 172688052) is 1,8-dioxacyclopentadecane-2,7-dione.
What is the SMILES notation for 1,8-dioxacyclopentadecane-2,7-dione?
The canonical SMILES for 1,8-dioxacyclopentadecane-2,7-dione is O=C1CCCCC(=O)OCCCCCCCO1.
What is the InChIKey of 1,8-dioxacyclopentadecane-2,7-dione?
The InChIKey is BHMDWJBBMBRMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c14-12-8-4-5-9-13(15)17-11-7-3-1-2-6-10-16-12/h1-11H2.
What are the key properties of 1,8-dioxacyclopentadecane-2,7-dione?
1,8-dioxacyclopentadecane-2,7-dione has a molecular weight of 242.31 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dioxacyclopentadecane-2,7-dione is sourced from PubChem (CID 172688052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).