3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one

C12H18O3 — CID 116746851

IUPAC3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one
SMILESCCOC(C)(CC)C(=O)Cc1ccoc1
InChIInChI=1S/C12H18O3/c1-4-12(3,15-5-2)11(13)8-10-6-7-14-9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOQQCESCWOSSKKC-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.60
Rot. Bonds6

About 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one

3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one (PubChem CID 116746851) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one
PubChem CID116746851
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one
SMILESCCOC(C)(CC)C(=O)Cc1ccoc1
InChIInChI=1S/C12H18O3/c1-4-12(3,15-5-2)11(13)8-10-6-7-14-9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOQQCESCWOSSKKC-UHFFFAOYSA-N
XLogP2.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
Lepalone
CID 535169
Ipomeanine
CID 100689
Elsholtziaketone
CID 521240
2-Methyl-5-(fur-3-yl)-pent-1-en-3-ol
CID 557594
5-(4-Methylphenyl)-2-furaldehyde
CID 960137
5-Phenyl-2-furaldehyde
CID 2769420
Irciformonin F
CID 54669793
Myomontanone
CID 101519
2-(Furan-3-yl)cyclohexan-1-one
CID 63950387
5-(4-Methoxyphenyl)-2-furaldehyde
CID 2759655
1-(3-Methyl-2-furyl)propan-1-one
CID 90245

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one?
The IUPAC name of 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one (CID 116746851) is 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one.
What is the SMILES notation for 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one?
The canonical SMILES for 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one is CCOC(C)(CC)C(=O)Cc1ccoc1.
What is the InChIKey of 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one?
The InChIKey is OQQCESCWOSSKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-12(3,15-5-2)11(13)8-10-6-7-14-9-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one?
3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one has a molecular weight of 210.27 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one is sourced from PubChem (CID 116746851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).