1-(oxolan-3-yl)non-8-en-2-one

C13H22O2 — CID 107008377

IUPAC1-(oxolan-3-yl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CCOC1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-13(14)10-12-8-9-15-11-12/h2,12H,1,3-11H2
InChIKeyWLNDONXSWRCSIL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.12
Rot. Bonds8

About 1-(oxolan-3-yl)non-8-en-2-one

1-(oxolan-3-yl)non-8-en-2-one (PubChem CID 107008377) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)non-8-en-2-one.

Molecular Properties

Compound Name1-(oxolan-3-yl)non-8-en-2-one
PubChem CID107008377
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(oxolan-3-yl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CCOC1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-13(14)10-12-8-9-15-11-12/h2,12H,1,3-11H2
InChIKeyWLNDONXSWRCSIL-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(oxolan-3-yl)non-8-en-2-one?
The IUPAC name of 1-(oxolan-3-yl)non-8-en-2-one (CID 107008377) is 1-(oxolan-3-yl)non-8-en-2-one.
What is the SMILES notation for 1-(oxolan-3-yl)non-8-en-2-one?
The canonical SMILES for 1-(oxolan-3-yl)non-8-en-2-one is C=CCCCCCC(=O)CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)non-8-en-2-one?
The InChIKey is WLNDONXSWRCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-13(14)10-12-8-9-15-11-12/h2,12H,1,3-11H2.
What are the key properties of 1-(oxolan-3-yl)non-8-en-2-one?
1-(oxolan-3-yl)non-8-en-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)non-8-en-2-one is sourced from PubChem (CID 107008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).