5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one

C17H32O4 — CID 162870497

IUPAC5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one
SMILESCCCCCCCCCCC1CC(CC(O)CO)C(=O)O1
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h14-16,18-19H,2-13H2,1H3
InChIKeyMXUHWVZQOFJKLX-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.19
Rot. Bonds12

About 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one

5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one (PubChem CID 162870497) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one.

Molecular Properties

Compound Name5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one
PubChem CID162870497
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one
SMILESCCCCCCCCCCC1CC(CC(O)CO)C(=O)O1
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h14-16,18-19H,2-13H2,1H3
InChIKeyMXUHWVZQOFJKLX-UHFFFAOYSA-N
XLogP3.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one?
The IUPAC name of 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one (CID 162870497) is 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one.
What is the SMILES notation for 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one?
The canonical SMILES for 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one is CCCCCCCCCCC1CC(CC(O)CO)C(=O)O1.
What is the InChIKey of 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one?
The InChIKey is MXUHWVZQOFJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h14-16,18-19H,2-13H2,1H3.
What are the key properties of 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one?
5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one has a molecular weight of 300.44 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-3-(2,3-dihydroxypropyl)oxolan-2-one is sourced from PubChem (CID 162870497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).