(2R)-2-octyl-2H-furan-5-one

C12H20O2 — CID 6917480

IUPAC(2R)-2-octyl-2H-furan-5-one
SMILESCCCCCCCC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3/t11-/m1/s1
InChIKeyBWXCHUAWFSHXMU-LLVKDONJSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds7

About (2R)-2-octyl-2H-furan-5-one

(2R)-2-octyl-2H-furan-5-one (PubChem CID 6917480) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-octyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-octyl-2H-furan-5-one
PubChem CID6917480
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2R)-2-octyl-2H-furan-5-one
SMILESCCCCCCCC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3/t11-/m1/s1
InChIKeyBWXCHUAWFSHXMU-LLVKDONJSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-octyl-2H-furan-5-one?
The IUPAC name of (2R)-2-octyl-2H-furan-5-one (CID 6917480) is (2R)-2-octyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-octyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-octyl-2H-furan-5-one is CCCCCCCC[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-octyl-2H-furan-5-one?
The InChIKey is BWXCHUAWFSHXMU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-octyl-2H-furan-5-one?
(2R)-2-octyl-2H-furan-5-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-octyl-2H-furan-5-one is sourced from PubChem (CID 6917480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).