(5S)-5-tridecyloxolan-2-one

C17H32O2 — CID 11065462

IUPAC(5S)-5-tridecyloxolan-2-one
SMILESCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h16H,2-15H2,1H3/t16-/m0/s1
InChIKeyZZKHCCCWEVWBPD-INIZCTEOSA-N
MW268.44 g/mol
LogP5.39
Rot. Bonds12

About (5S)-5-tridecyloxolan-2-one

(5S)-5-tridecyloxolan-2-one (PubChem CID 11065462) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (5S)-5-tridecyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-tridecyloxolan-2-one
PubChem CID11065462
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(5S)-5-tridecyloxolan-2-one
SMILESCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h16H,2-15H2,1H3/t16-/m0/s1
InChIKeyZZKHCCCWEVWBPD-INIZCTEOSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.39
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 (5S)-5-tridecyloxolan-2-one?
The IUPAC name of (5S)-5-tridecyloxolan-2-one (CID 11065462) is (5S)-5-tridecyloxolan-2-one.
What is the SMILES notation for (5S)-5-tridecyloxolan-2-one?
The canonical SMILES for (5S)-5-tridecyloxolan-2-one is CCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-tridecyloxolan-2-one?
The InChIKey is ZZKHCCCWEVWBPD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h16H,2-15H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-tridecyloxolan-2-one?
(5S)-5-tridecyloxolan-2-one has a molecular weight of 268.44 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tridecyloxolan-2-one is sourced from PubChem (CID 11065462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).