3-decyl-5-hydroxyoxolan-2-one

C14H26O3 — CID 19769903

IUPAC3-decyl-5-hydroxyoxolan-2-one
SMILESCCCCCCCCCCC1CC(O)OC1=O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12-13,15H,2-11H2,1H3
InChIKeyVBIYNUPZZUGBMQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.40
Rot. Bonds9

About 3-decyl-5-hydroxyoxolan-2-one

3-decyl-5-hydroxyoxolan-2-one (PubChem CID 19769903) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-decyl-5-hydroxyoxolan-2-one.

Molecular Properties

Compound Name3-decyl-5-hydroxyoxolan-2-one
PubChem CID19769903
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-decyl-5-hydroxyoxolan-2-one
SMILESCCCCCCCCCCC1CC(O)OC1=O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12-13,15H,2-11H2,1H3
InChIKeyVBIYNUPZZUGBMQ-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.40
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-decyl-5-hydroxyoxolan-2-one?
The IUPAC name of 3-decyl-5-hydroxyoxolan-2-one (CID 19769903) is 3-decyl-5-hydroxyoxolan-2-one.
What is the SMILES notation for 3-decyl-5-hydroxyoxolan-2-one?
The canonical SMILES for 3-decyl-5-hydroxyoxolan-2-one is CCCCCCCCCCC1CC(O)OC1=O.
What is the InChIKey of 3-decyl-5-hydroxyoxolan-2-one?
The InChIKey is VBIYNUPZZUGBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-decyl-5-hydroxyoxolan-2-one?
3-decyl-5-hydroxyoxolan-2-one has a molecular weight of 242.36 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-5-hydroxyoxolan-2-one is sourced from PubChem (CID 19769903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).