2-decyl-2H-furan-5-one

C14H24O2 — CID 14227493

IUPAC2-decyl-2H-furan-5-one
SMILESCCCCCCCCCCC1C=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h11-13H,2-10H2,1H3
InChIKeySKFLHLHXKUSHDF-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds9

About 2-decyl-2H-furan-5-one

2-decyl-2H-furan-5-one (PubChem CID 14227493) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-decyl-2H-furan-5-one.

Molecular Properties

Compound Name2-decyl-2H-furan-5-one
PubChem CID14227493
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-decyl-2H-furan-5-one
SMILESCCCCCCCCCCC1C=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h11-13H,2-10H2,1H3
InChIKeySKFLHLHXKUSHDF-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
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

2-Nonenoic acid gamma-lactone
CID 89559
Ethyl 2-decenoate, (2E)-
CID 5463904
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
Hexyl 2-hexenoate, (2E)-
CID 6435861
Butyl 2-decenoate
CID 5463906
5-hexylfuran-2(5H)-one
CID 102833
1-Nonen-3-ol, 3-acetate
CID 169364
(+-)-Massoia lactone
CID 39914
Butyl oct-2-enoate
CID 93661
2-Dodecenoic acid, ethyl ester, (2E)-
CID 11287580
2-Butenoic acid, octyl ester
CID 90848

Frequently Asked Questions

What is the IUPAC name of 2-decyl-2H-furan-5-one?
The IUPAC name of 2-decyl-2H-furan-5-one (CID 14227493) is 2-decyl-2H-furan-5-one.
What is the SMILES notation for 2-decyl-2H-furan-5-one?
The canonical SMILES for 2-decyl-2H-furan-5-one is CCCCCCCCCCC1C=CC(=O)O1.
What is the InChIKey of 2-decyl-2H-furan-5-one?
The InChIKey is SKFLHLHXKUSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h11-13H,2-10H2,1H3.
What are the key properties of 2-decyl-2H-furan-5-one?
2-decyl-2H-furan-5-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-2H-furan-5-one is sourced from PubChem (CID 14227493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).