5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one

C17H30O3 — CID 123747050

IUPAC5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one
SMILESCCC(C)(C)CC(C)(C)CC=CCC1CC(=O)OC1O
InChIInChI=1S/C17H30O3/c1-6-16(2,3)12-17(4,5)10-8-7-9-13-11-14(18)20-15(13)19/h7-8,13,15,19H,6,9-12H2,1-5H3
InChIKeyZPQIJBPIEWTCAC-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.06
Rot. Bonds7

About 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one

5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one (PubChem CID 123747050) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one
PubChem CID123747050
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one
SMILESCCC(C)(C)CC(C)(C)CC=CCC1CC(=O)OC1O
InChIInChI=1S/C17H30O3/c1-6-16(2,3)12-17(4,5)10-8-7-9-13-11-14(18)20-15(13)19/h7-8,13,15,19H,6,9-12H2,1-5H3
InChIKeyZPQIJBPIEWTCAC-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one?
The IUPAC name of 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one (CID 123747050) is 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one?
The canonical SMILES for 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one is CCC(C)(C)CC(C)(C)CC=CCC1CC(=O)OC1O.
What is the InChIKey of 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one?
The InChIKey is ZPQIJBPIEWTCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-6-16(2,3)12-17(4,5)10-8-7-9-13-11-14(18)20-15(13)19/h7-8,13,15,19H,6,9-12H2,1-5H3.
What are the key properties of 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one?
5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one has a molecular weight of 282.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one is sourced from PubChem (CID 123747050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).