methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate

C17H28O4 — CID 162820218

IUPACmethyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate
SMILESC=CCCCCCCCCC1CC(CC(=O)OC)C(=O)O1
InChIInChI=1S/C17H28O4/c1-3-4-5-6-7-8-9-10-11-15-12-14(17(19)21-15)13-16(18)20-2/h3,14-15H,1,4-13H2,2H3
InChIKeyJETQBRJUYZNEII-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.79
Rot. Bonds11

About methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate

methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate (PubChem CID 162820218) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate
PubChem CID162820218
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Namemethyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate
SMILESC=CCCCCCCCCC1CC(CC(=O)OC)C(=O)O1
InChIInChI=1S/C17H28O4/c1-3-4-5-6-7-8-9-10-11-15-12-14(17(19)21-15)13-16(18)20-2/h3,14-15H,1,4-13H2,2H3
InChIKeyJETQBRJUYZNEII-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate?
The IUPAC name of methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate (CID 162820218) is methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate is C=CCCCCCCCCC1CC(CC(=O)OC)C(=O)O1.
What is the InChIKey of methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate?
The InChIKey is JETQBRJUYZNEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-3-4-5-6-7-8-9-10-11-15-12-14(17(19)21-15)13-16(18)20-2/h3,14-15H,1,4-13H2,2H3.
What are the key properties of methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate?
methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate has a molecular weight of 296.41 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate is sourced from PubChem (CID 162820218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).