(4R,5R)-4-hydroxy-5-tridecyloxolan-2-one

C17H32O3 — CID 15232522

IUPAC(4R,5R)-4-hydroxy-5-tridecyloxolan-2-one
SMILESCCCCCCCCCCCCC[C@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-15(18)14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16-/m1/s1
InChIKeyNNXQMQBNCJBAAK-HZPDHXFCSA-N
MW284.44 g/mol
LogP4.36
Rot. Bonds12

About (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one

(4R,5R)-4-hydroxy-5-tridecyloxolan-2-one (PubChem CID 15232522) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-5-tridecyloxolan-2-one
PubChem CID15232522
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(4R,5R)-4-hydroxy-5-tridecyloxolan-2-one
SMILESCCCCCCCCCCCCC[C@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-15(18)14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16-/m1/s1
InChIKeyNNXQMQBNCJBAAK-HZPDHXFCSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one (CID 15232522) is (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one is CCCCCCCCCCCCC[C@H]1OC(=O)C[C@H]1O.
What is the InChIKey of (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one?
The InChIKey is NNXQMQBNCJBAAK-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-15(18)14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one?
(4R,5R)-4-hydroxy-5-tridecyloxolan-2-one has a molecular weight of 284.44 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-5-tridecyloxolan-2-one is sourced from PubChem (CID 15232522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).