1-(furan-2-yl)-5-methylhexan-2-one

C11H16O2 — CID 83172823

IUPAC1-(furan-2-yl)-5-methylhexan-2-one
SMILESCC(C)CCC(=O)Cc1ccco1
InChIInChI=1S/C11H16O2/c1-9(2)5-6-10(12)8-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyCXYNYJJSVWFUSG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.83
Rot. Bonds5

About 1-(furan-2-yl)-5-methylhexan-2-one

1-(furan-2-yl)-5-methylhexan-2-one (PubChem CID 83172823) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-5-methylhexan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-5-methylhexan-2-one
PubChem CID83172823
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(furan-2-yl)-5-methylhexan-2-one
SMILESCC(C)CCC(=O)Cc1ccco1
InChIInChI=1S/C11H16O2/c1-9(2)5-6-10(12)8-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyCXYNYJJSVWFUSG-UHFFFAOYSA-N
XLogP2.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
CID 116608493
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-5-methylhexan-2-one?
The IUPAC name of 1-(furan-2-yl)-5-methylhexan-2-one (CID 83172823) is 1-(furan-2-yl)-5-methylhexan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-5-methylhexan-2-one?
The canonical SMILES for 1-(furan-2-yl)-5-methylhexan-2-one is CC(C)CCC(=O)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-5-methylhexan-2-one?
The InChIKey is CXYNYJJSVWFUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)5-6-10(12)8-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-5-methylhexan-2-one?
1-(furan-2-yl)-5-methylhexan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-5-methylhexan-2-one is sourced from PubChem (CID 83172823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).