1-(furan-3-yl)decan-2-one

C14H22O2 — CID 14755507

IUPAC1-(furan-3-yl)decan-2-one
SMILESCCCCCCCCC(=O)Cc1ccoc1
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-14(15)11-13-9-10-16-12-13/h9-10,12H,2-8,11H2,1H3
InChIKeyQHRFJAOBTGKJIU-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.14
Rot. Bonds9

About 1-(furan-3-yl)decan-2-one

1-(furan-3-yl)decan-2-one (PubChem CID 14755507) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(furan-3-yl)decan-2-one.

Molecular Properties

Compound Name1-(furan-3-yl)decan-2-one
PubChem CID14755507
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(furan-3-yl)decan-2-one
SMILESCCCCCCCCC(=O)Cc1ccoc1
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-14(15)11-13-9-10-16-12-13/h9-10,12H,2-8,11H2,1H3
InChIKeyQHRFJAOBTGKJIU-UHFFFAOYSA-N
XLogP4.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Ipomeanol
CID 36284
1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
4-(2-Furyl)-2-butanone
CID 12780
3-(5-Methyl-2-furyl)butanal
CID 3578033
Egomaketone
CID 42978
1,3-Butanedione, 1-(2-furanyl)-
CID 12168
1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
CID 41493
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
CID 47945
Furanogermenone
CID 6439596
1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
CID 99899
Lepalone
CID 535169
Ipomeanine
CID 100689

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)decan-2-one?
The IUPAC name of 1-(furan-3-yl)decan-2-one (CID 14755507) is 1-(furan-3-yl)decan-2-one.
What is the SMILES notation for 1-(furan-3-yl)decan-2-one?
The canonical SMILES for 1-(furan-3-yl)decan-2-one is CCCCCCCCC(=O)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)decan-2-one?
The InChIKey is QHRFJAOBTGKJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-14(15)11-13-9-10-16-12-13/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-(furan-3-yl)decan-2-one?
1-(furan-3-yl)decan-2-one has a molecular weight of 222.33 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)decan-2-one is sourced from PubChem (CID 14755507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).