1-(furan-2-yl)hexan-2-one

C10H14O2 — CID 3115857

IUPAC1-(furan-2-yl)hexan-2-one
SMILESCCCCC(=O)Cc1ccco1
InChIInChI=1S/C10H14O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7H,2-3,5,8H2,1H3
InChIKeyZFOXBBGPKWFOHA-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.58
Rot. Bonds5

About 1-(furan-2-yl)hexan-2-one

1-(furan-2-yl)hexan-2-one (PubChem CID 3115857) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-2-yl)hexan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)hexan-2-one
PubChem CID3115857
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(furan-2-yl)hexan-2-one
SMILESCCCCC(=O)Cc1ccco1
InChIInChI=1S/C10H14O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7H,2-3,5,8H2,1H3
InChIKeyZFOXBBGPKWFOHA-UHFFFAOYSA-N
XLogP2.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.58
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)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)hexan-2-one?
The IUPAC name of 1-(furan-2-yl)hexan-2-one (CID 3115857) is 1-(furan-2-yl)hexan-2-one.
What is the SMILES notation for 1-(furan-2-yl)hexan-2-one?
The canonical SMILES for 1-(furan-2-yl)hexan-2-one is CCCCC(=O)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)hexan-2-one?
The InChIKey is ZFOXBBGPKWFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7H,2-3,5,8H2,1H3.
What are the key properties of 1-(furan-2-yl)hexan-2-one?
1-(furan-2-yl)hexan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.58, 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)hexan-2-one is sourced from PubChem (CID 3115857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).