1-(furan-2-yl)-5-methylhexan-3-one

C11H16O2 — CID 15073810

IUPAC1-(furan-2-yl)-5-methylhexan-3-one
SMILESCC(C)CC(=O)CCc1ccco1
InChIInChI=1S/C11H16O2/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyHVHIHALEBQPOKH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.83
Rot. Bonds5

About 1-(furan-2-yl)-5-methylhexan-3-one

1-(furan-2-yl)-5-methylhexan-3-one (PubChem CID 15073810) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-5-methylhexan-3-one.

Molecular Properties

Compound Name1-(furan-2-yl)-5-methylhexan-3-one
PubChem CID15073810
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(furan-2-yl)-5-methylhexan-3-one
SMILESCC(C)CC(=O)CCc1ccco1
InChIInChI=1S/C11H16O2/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyHVHIHALEBQPOKH-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

6-(furan-2-yl)hexane-2,4-dione
CID 155288881
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-5-methylhexan-3-one?
The IUPAC name of 1-(furan-2-yl)-5-methylhexan-3-one (CID 15073810) is 1-(furan-2-yl)-5-methylhexan-3-one.
What is the SMILES notation for 1-(furan-2-yl)-5-methylhexan-3-one?
The canonical SMILES for 1-(furan-2-yl)-5-methylhexan-3-one is CC(C)CC(=O)CCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-5-methylhexan-3-one?
The InChIKey is HVHIHALEBQPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-5-methylhexan-3-one?
1-(furan-2-yl)-5-methylhexan-3-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-3-one is sourced from PubChem (CID 15073810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).