1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane

C17H22O4 — CID 144689486

IUPAC1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
SMILESCC.Cc1ccc(C(=O)CCCC(=O)c2ccc(C)o2)o1
InChIInChI=1S/C15H16O4.C2H6/c1-10-6-8-14(18-10)12(16)4-3-5-13(17)15-9-7-11(2)19-15;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyMONMKJMDEAJQRP-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.75
Rot. Bonds6

About 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane

1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane (PubChem CID 144689486) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane.

Molecular Properties

Compound Name1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
PubChem CID144689486
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
SMILESCC.Cc1ccc(C(=O)CCCC(=O)c2ccc(C)o2)o1
InChIInChI=1S/C15H16O4.C2H6/c1-10-6-8-14(18-10)12(16)4-3-5-13(17)15-9-7-11(2)19-15;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyMONMKJMDEAJQRP-UHFFFAOYSA-N
XLogP4.75
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
1-(5-methylfuran-2-yl)hex-5-yn-1-one
CID 115798391
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
5-[10-(5-methylfuran-2-yl)-10-oxodecanoyl]furan-2-sulfonic acid
CID 165038590
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232321
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
CID 116915783
3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one
CID 877362
3-methyl-1-(5-methylfuran-2-yl)pentan-1-one
CID 114874036
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane?
The IUPAC name of 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane (CID 144689486) is 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane.
What is the SMILES notation for 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane?
The canonical SMILES for 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane is CC.Cc1ccc(C(=O)CCCC(=O)c2ccc(C)o2)o1.
What is the InChIKey of 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane?
The InChIKey is MONMKJMDEAJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4.C2H6/c1-10-6-8-14(18-10)12(16)4-3-5-13(17)15-9-7-11(2)19-15;1-2/h6-9H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane?
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane has a molecular weight of 290.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane is sourced from PubChem (CID 144689486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).