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

C17H30O2 — CID 10423057

IUPAC(2R)-2-tridecyl-2H-furan-5-one
SMILESCCCCCCCCCCCCC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h14-16H,2-13H2,1H3/t16-/m1/s1
InChIKeyVXYITLXRBYCEBM-MRXNPFEDSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds12

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

(2R)-2-tridecyl-2H-furan-5-one (PubChem CID 10423057) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (2R)-2-tridecyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-tridecyl-2H-furan-5-one
PubChem CID10423057
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(2R)-2-tridecyl-2H-furan-5-one
SMILESCCCCCCCCCCCCC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h14-16H,2-13H2,1H3/t16-/m1/s1
InChIKeyVXYITLXRBYCEBM-MRXNPFEDSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
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-tridecyl-2H-furan-5-one?
The IUPAC name of (2R)-2-tridecyl-2H-furan-5-one (CID 10423057) is (2R)-2-tridecyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-tridecyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-tridecyl-2H-furan-5-one is CCCCCCCCCCCCC[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-tridecyl-2H-furan-5-one?
The InChIKey is VXYITLXRBYCEBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h14-16H,2-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-tridecyl-2H-furan-5-one?
(2R)-2-tridecyl-2H-furan-5-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tridecyl-2H-furan-5-one is sourced from PubChem (CID 10423057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).