4-hydroxy-5-methyl-3-tetradecyloxolan-2-one

C19H36O3 — CID 14188591

IUPAC4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
SMILESCCCCCCCCCCCCCCC1C(=O)OC(C)C1O
InChIInChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h16-18,20H,3-15H2,1-2H3
InChIKeyBEEKFGLUGMQFSX-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.00
Rot. Bonds13

About 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one

4-hydroxy-5-methyl-3-tetradecyloxolan-2-one (PubChem CID 14188591) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
PubChem CID14188591
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
SMILESCCCCCCCCCCCCCCC1C(=O)OC(C)C1O
InChIInChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h16-18,20H,3-15H2,1-2H3
InChIKeyBEEKFGLUGMQFSX-UHFFFAOYSA-N
XLogP5.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 55.00
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 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one?
The IUPAC name of 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one (CID 14188591) is 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one is CCCCCCCCCCCCCCC1C(=O)OC(C)C1O.
What is the InChIKey of 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one?
The InChIKey is BEEKFGLUGMQFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h16-18,20H,3-15H2,1-2H3.
What are the key properties of 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one?
4-hydroxy-5-methyl-3-tetradecyloxolan-2-one has a molecular weight of 312.49 g/mol, XLogP of 5.00, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3-tetradecyloxolan-2-one is sourced from PubChem (CID 14188591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).