2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione

C15H26O4 — CID 154427465

IUPAC2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione
SMILESCCC1CCC(CC)OC(=O)CCCCC(=O)OC1
InChIInChI=1S/C15H26O4/c1-3-12-9-10-13(4-2)19-15(17)8-6-5-7-14(16)18-11-12/h12-13H,3-11H2,1-2H3
InChIKeyDMTMCSXSLHNXHZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.23
Rot. Bonds2

About 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione

2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione (PubChem CID 154427465) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione.

Molecular Properties

Compound Name2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione
PubChem CID154427465
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione
SMILESCCC1CCC(CC)OC(=O)CCCCC(=O)OC1
InChIInChI=1S/C15H26O4/c1-3-12-9-10-13(4-2)19-15(17)8-6-5-7-14(16)18-11-12/h12-13H,3-11H2,1-2H3
InChIKeyDMTMCSXSLHNXHZ-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
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CID 142211982
13-propyl-oxacyclotridecan-2-one
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CID 174800937
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone
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6-ethyloxan-2-one;oxan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione?
The IUPAC name of 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione (CID 154427465) is 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione.
What is the SMILES notation for 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione?
The canonical SMILES for 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione is CCC1CCC(CC)OC(=O)CCCCC(=O)OC1.
What is the InChIKey of 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione?
The InChIKey is DMTMCSXSLHNXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-3-12-9-10-13(4-2)19-15(17)8-6-5-7-14(16)18-11-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione?
2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione has a molecular weight of 270.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione is sourced from PubChem (CID 154427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).