6-ethyl-1,4-dioxacycloheptadecane-5,17-dione

C17H30O4 — CID 19702286

IUPAC6-ethyl-1,4-dioxacycloheptadecane-5,17-dione
SMILESCCC1CCCCCCCCCCC(=O)OCCOC1=O
InChIInChI=1S/C17H30O4/c1-2-15-11-9-7-5-3-4-6-8-10-12-16(18)20-13-14-21-17(15)19/h15H,2-14H2,1H3
InChIKeyLNJGXGBZXICSOJ-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.01
Rot. Bonds1

About 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione

6-ethyl-1,4-dioxacycloheptadecane-5,17-dione (PubChem CID 19702286) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione.

Molecular Properties

Compound Name6-ethyl-1,4-dioxacycloheptadecane-5,17-dione
PubChem CID19702286
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name6-ethyl-1,4-dioxacycloheptadecane-5,17-dione
SMILESCCC1CCCCCCCCCCC(=O)OCCOC1=O
InChIInChI=1S/C17H30O4/c1-2-15-11-9-7-5-3-4-6-8-10-12-16(18)20-13-14-21-17(15)19/h15H,2-14H2,1H3
InChIKeyLNJGXGBZXICSOJ-UHFFFAOYSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(2-ethylhexyl) adipate
CID 7641
3-Methylbutyl octanoate
CID 16255
Ethyl cyclohexane propionate
CID 61466
Isoamyl decanoate
CID 75320
2,2'-Ethylenedioxydiethyl bis(2-ethylhexanoate)
CID 7185
Bis(2-ethylhexyl) azelate
CID 7642
Diisodecyl Adipate
CID 33733
Isoamyl Laurate
CID 61386
Isoamyl palmitate
CID 3019031
Di-2-ethylhexyl sebacate
CID 31218
Tetraethylene glycol di(2-ethylhexanoate)
CID 28999
Diisononyl Adipate
CID 6427097

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione?
The IUPAC name of 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione (CID 19702286) is 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione.
What is the SMILES notation for 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione?
The canonical SMILES for 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione is CCC1CCCCCCCCCCC(=O)OCCOC1=O.
What is the InChIKey of 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione?
The InChIKey is LNJGXGBZXICSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-2-15-11-9-7-5-3-4-6-8-10-12-16(18)20-13-14-21-17(15)19/h15H,2-14H2,1H3.
What are the key properties of 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione?
6-ethyl-1,4-dioxacycloheptadecane-5,17-dione has a molecular weight of 298.42 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-dioxacycloheptadecane-5,17-dione is sourced from PubChem (CID 19702286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).