10-(5-methylfuran-2-yl)decane-2,5,8-trione

C15H20O4 — CID 154620502

IUPAC10-(5-methylfuran-2-yl)decane-2,5,8-trione
SMILESCC(=O)CCC(=O)CCC(=O)CCc1ccc(C)o1
InChIInChI=1S/C15H20O4/c1-11(16)3-5-13(17)6-7-14(18)8-10-15-9-4-12(2)19-15/h4,9H,3,5-8,10H2,1-2H3
InChIKeyCBGXWQVHUZMGJX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.81
Rot. Bonds9

About 10-(5-methylfuran-2-yl)decane-2,5,8-trione

10-(5-methylfuran-2-yl)decane-2,5,8-trione (PubChem CID 154620502) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 10-(5-methylfuran-2-yl)decane-2,5,8-trione.

Molecular Properties

Compound Name10-(5-methylfuran-2-yl)decane-2,5,8-trione
PubChem CID154620502
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name10-(5-methylfuran-2-yl)decane-2,5,8-trione
SMILESCC(=O)CCC(=O)CCC(=O)CCc1ccc(C)o1
InChIInChI=1S/C15H20O4/c1-11(16)3-5-13(17)6-7-14(18)8-10-15-9-4-12(2)19-15/h4,9H,3,5-8,10H2,1-2H3
InChIKeyCBGXWQVHUZMGJX-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
7-(5-methylfuran-2-yl)-4-oxoheptanamide
CID 163809380
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079
deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen
CID 159933165
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
(1E,4E)-1,5-bis[5-(hydroxymethyl)furan-2-yl]penta-1,4-dien-3-one;1,5-bis[5-(hydroxymethyl)furan-2-yl]pentan-3-one;pentadecane;pentadecane-2,5,8,11,14-pentone
CID 161098793
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
CID 115219138
N',N'-dimethyl-5-(5-methylfuran-2-yl)pentanehydrazide
CID 116847821

Frequently Asked Questions

What is the IUPAC name of 10-(5-methylfuran-2-yl)decane-2,5,8-trione?
The IUPAC name of 10-(5-methylfuran-2-yl)decane-2,5,8-trione (CID 154620502) is 10-(5-methylfuran-2-yl)decane-2,5,8-trione.
What is the SMILES notation for 10-(5-methylfuran-2-yl)decane-2,5,8-trione?
The canonical SMILES for 10-(5-methylfuran-2-yl)decane-2,5,8-trione is CC(=O)CCC(=O)CCC(=O)CCc1ccc(C)o1.
What is the InChIKey of 10-(5-methylfuran-2-yl)decane-2,5,8-trione?
The InChIKey is CBGXWQVHUZMGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(16)3-5-13(17)6-7-14(18)8-10-15-9-4-12(2)19-15/h4,9H,3,5-8,10H2,1-2H3.
What are the key properties of 10-(5-methylfuran-2-yl)decane-2,5,8-trione?
10-(5-methylfuran-2-yl)decane-2,5,8-trione has a molecular weight of 264.32 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-methylfuran-2-yl)decane-2,5,8-trione is sourced from PubChem (CID 154620502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).