3-dodecyl-5-hydroxyoxolan-2-one

C16H30O3 — CID 19769902

IUPAC3-dodecyl-5-hydroxyoxolan-2-one
SMILESCCCCCCCCCCCCC1CC(O)OC1=O
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14-15,17H,2-13H2,1H3
InChIKeyDOXGMOPFOXRKEU-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.18
Rot. Bonds11

About 3-dodecyl-5-hydroxyoxolan-2-one

3-dodecyl-5-hydroxyoxolan-2-one (PubChem CID 19769902) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 3-dodecyl-5-hydroxyoxolan-2-one.

Molecular Properties

Compound Name3-dodecyl-5-hydroxyoxolan-2-one
PubChem CID19769902
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name3-dodecyl-5-hydroxyoxolan-2-one
SMILESCCCCCCCCCCCCC1CC(O)OC1=O
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14-15,17H,2-13H2,1H3
InChIKeyDOXGMOPFOXRKEU-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.18
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 3-dodecyl-5-hydroxyoxolan-2-one?
The IUPAC name of 3-dodecyl-5-hydroxyoxolan-2-one (CID 19769902) is 3-dodecyl-5-hydroxyoxolan-2-one.
What is the SMILES notation for 3-dodecyl-5-hydroxyoxolan-2-one?
The canonical SMILES for 3-dodecyl-5-hydroxyoxolan-2-one is CCCCCCCCCCCCC1CC(O)OC1=O.
What is the InChIKey of 3-dodecyl-5-hydroxyoxolan-2-one?
The InChIKey is DOXGMOPFOXRKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-dodecyl-5-hydroxyoxolan-2-one?
3-dodecyl-5-hydroxyoxolan-2-one has a molecular weight of 270.41 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-5-hydroxyoxolan-2-one is sourced from PubChem (CID 19769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).