3-(10-methylundecyl)oxolane-2,5-dione

C16H28O3 — CID 15044326

IUPAC3-(10-methylundecyl)oxolane-2,5-dione
SMILESCC(C)CCCCCCCCCC1CC(=O)OC1=O
InChIInChI=1S/C16H28O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h13-14H,3-12H2,1-2H3
InChIKeyZUWNQGRCWZDTKT-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.24
Rot. Bonds10

About 3-(10-methylundecyl)oxolane-2,5-dione

3-(10-methylundecyl)oxolane-2,5-dione (PubChem CID 15044326) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(10-methylundecyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(10-methylundecyl)oxolane-2,5-dione
PubChem CID15044326
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name3-(10-methylundecyl)oxolane-2,5-dione
SMILESCC(C)CCCCCCCCCC1CC(=O)OC1=O
InChIInChI=1S/C16H28O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h13-14H,3-12H2,1-2H3
InChIKeyZUWNQGRCWZDTKT-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(10-methylundecyl)oxolane-2,5-dione?
The IUPAC name of 3-(10-methylundecyl)oxolane-2,5-dione (CID 15044326) is 3-(10-methylundecyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(10-methylundecyl)oxolane-2,5-dione?
The canonical SMILES for 3-(10-methylundecyl)oxolane-2,5-dione is CC(C)CCCCCCCCCC1CC(=O)OC1=O.
What is the InChIKey of 3-(10-methylundecyl)oxolane-2,5-dione?
The InChIKey is ZUWNQGRCWZDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-(10-methylundecyl)oxolane-2,5-dione?
3-(10-methylundecyl)oxolane-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methylundecyl)oxolane-2,5-dione is sourced from PubChem (CID 15044326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).