1-(1,3-dioxolan-2-yl)non-8-en-2-one

C12H20O3 — CID 107011030

IUPAC1-(1,3-dioxolan-2-yl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1OCCO1
InChIInChI=1S/C12H20O3/c1-2-3-4-5-6-7-11(13)10-12-14-8-9-15-12/h2,12H,1,3-10H2
InChIKeyGDVPAKGPEGGBSC-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds8

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

1-(1,3-dioxolan-2-yl)non-8-en-2-one (PubChem CID 107011030) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)non-8-en-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)non-8-en-2-one
PubChem CID107011030
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(1,3-dioxolan-2-yl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1OCCO1
InChIInChI=1S/C12H20O3/c1-2-3-4-5-6-7-11(13)10-12-14-8-9-15-12/h2,12H,1,3-10H2
InChIKeyGDVPAKGPEGGBSC-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 1-(1,3-dioxolan-2-yl)non-8-en-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)non-8-en-2-one (CID 107011030) is 1-(1,3-dioxolan-2-yl)non-8-en-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)non-8-en-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)non-8-en-2-one is C=CCCCCCC(=O)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)non-8-en-2-one?
The InChIKey is GDVPAKGPEGGBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-4-5-6-7-11(13)10-12-14-8-9-15-12/h2,12H,1,3-10H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)non-8-en-2-one?
1-(1,3-dioxolan-2-yl)non-8-en-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)non-8-en-2-one is sourced from PubChem (CID 107011030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).