1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione

C17H24O6 — CID 23431265

IUPAC1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione
SMILESO=C(CCCC(=O)CCC1COC(=O)C1)CCC1COC(=O)C1
InChIInChI=1S/C17H24O6/c18-14(6-4-12-8-16(20)22-10-12)2-1-3-15(19)7-5-13-9-17(21)23-11-13/h12-13H,1-11H2
InChIKeyCOMKTRQQTQHVEX-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.98
Rot. Bonds10

About 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione

1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione (PubChem CID 23431265) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione.

Molecular Properties

Compound Name1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione
PubChem CID23431265
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione
SMILESO=C(CCCC(=O)CCC1COC(=O)C1)CCC1COC(=O)C1
InChIInChI=1S/C17H24O6/c18-14(6-4-12-8-16(20)22-10-12)2-1-3-15(19)7-5-13-9-17(21)23-11-13/h12-13H,1-11H2
InChIKeyCOMKTRQQTQHVEX-UHFFFAOYSA-N
XLogP1.98
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione?
The IUPAC name of 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione (CID 23431265) is 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione.
What is the SMILES notation for 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione?
The canonical SMILES for 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione is O=C(CCCC(=O)CCC1COC(=O)C1)CCC1COC(=O)C1.
What is the InChIKey of 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione?
The InChIKey is COMKTRQQTQHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c18-14(6-4-12-8-16(20)22-10-12)2-1-3-15(19)7-5-13-9-17(21)23-11-13/h12-13H,1-11H2.
What are the key properties of 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione?
1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione has a molecular weight of 324.37 g/mol, XLogP of 1.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione is sourced from PubChem (CID 23431265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).