2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid

C16H26O4 — CID 163018272

IUPAC2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid
SMILESC=CCCCCCCCCC1CC(CC(=O)O)C(=O)O1
InChIInChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-14-11-13(12-15(17)18)16(19)20-14/h2,13-14H,1,3-12H2,(H,17,18)
InChIKeyFQFANWKSMOTSKK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.70
Rot. Bonds11

About 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid

2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid (PubChem CID 163018272) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid
PubChem CID163018272
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid
SMILESC=CCCCCCCCCC1CC(CC(=O)O)C(=O)O1
InChIInChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-14-11-13(12-15(17)18)16(19)20-14/h2,13-14H,1,3-12H2,(H,17,18)
InChIKeyFQFANWKSMOTSKK-UHFFFAOYSA-N
XLogP3.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid?
The IUPAC name of 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid (CID 163018272) is 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid?
The canonical SMILES for 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid is C=CCCCCCCCCC1CC(CC(=O)O)C(=O)O1.
What is the InChIKey of 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid?
The InChIKey is FQFANWKSMOTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-14-11-13(12-15(17)18)16(19)20-14/h2,13-14H,1,3-12H2,(H,17,18).
What are the key properties of 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid?
2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid has a molecular weight of 282.38 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetic acid is sourced from PubChem (CID 163018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).