3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione

C17H30O3 — CID 20693613

IUPAC3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione
SMILESCC(C)CC(C)CC(C)(CC(C)C)C1CC(=O)OC1=O
InChIInChI=1S/C17H30O3/c1-11(2)7-13(5)10-17(6,9-12(3)4)14-8-15(18)20-16(14)19/h11-14H,7-10H2,1-6H3
InChIKeyLNAHWFIDOKKZLL-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.20
Rot. Bonds7

About 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione

3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione (PubChem CID 20693613) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione
PubChem CID20693613
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione
SMILESCC(C)CC(C)CC(C)(CC(C)C)C1CC(=O)OC1=O
InChIInChI=1S/C17H30O3/c1-11(2)7-13(5)10-17(6,9-12(3)4)14-8-15(18)20-16(14)19/h11-14H,7-10H2,1-6H3
InChIKeyLNAHWFIDOKKZLL-UHFFFAOYSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione?
The IUPAC name of 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione (CID 20693613) is 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione is CC(C)CC(C)CC(C)(CC(C)C)C1CC(=O)OC1=O.
What is the InChIKey of 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione?
The InChIKey is LNAHWFIDOKKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-11(2)7-13(5)10-17(6,9-12(3)4)14-8-15(18)20-16(14)19/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione?
3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione has a molecular weight of 282.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6,8-tetramethylnonan-4-yl)oxolane-2,5-dione is sourced from PubChem (CID 20693613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).