(4R,5R)-4-ethenyl-5-nonyloxolan-2-one

C15H26O2 — CID 102462794

IUPAC(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@@H]1CCCCCCCCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-14-13(4-2)12-15(16)17-14/h4,13-14H,2-3,5-12H2,1H3/t13-,14+/m0/s1
InChIKeyOMTITDXJXZNMTH-UONOGXRCSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds9

About (4R,5R)-4-ethenyl-5-nonyloxolan-2-one

(4R,5R)-4-ethenyl-5-nonyloxolan-2-one (PubChem CID 102462794) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4R,5R)-4-ethenyl-5-nonyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
PubChem CID102462794
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@@H]1CCCCCCCCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-14-13(4-2)12-15(16)17-14/h4,13-14H,2-3,5-12H2,1H3/t13-,14+/m0/s1
InChIKeyOMTITDXJXZNMTH-UONOGXRCSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethenyl-5-nonyloxolan-2-one?
The IUPAC name of (4R,5R)-4-ethenyl-5-nonyloxolan-2-one (CID 102462794) is (4R,5R)-4-ethenyl-5-nonyloxolan-2-one.
What is the SMILES notation for (4R,5R)-4-ethenyl-5-nonyloxolan-2-one?
The canonical SMILES for (4R,5R)-4-ethenyl-5-nonyloxolan-2-one is C=C[C@H]1CC(=O)O[C@@H]1CCCCCCCCC.
What is the InChIKey of (4R,5R)-4-ethenyl-5-nonyloxolan-2-one?
The InChIKey is OMTITDXJXZNMTH-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-14-13(4-2)12-15(16)17-14/h4,13-14H,2-3,5-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of (4R,5R)-4-ethenyl-5-nonyloxolan-2-one?
(4R,5R)-4-ethenyl-5-nonyloxolan-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethenyl-5-nonyloxolan-2-one is sourced from PubChem (CID 102462794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).