(Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one

C13H22O3 — CID 24977179

IUPAC(Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one
SMILESCCC/C=C\CCC(=O)CCC1OCCO1
InChIInChI=1S/C13H22O3/c1-2-3-4-5-6-7-12(14)8-9-13-15-10-11-16-13/h4-5,13H,2-3,6-11H2,1H3/b5-4-
InChIKeyNWTDCIRIHYDYIR-PLNGDYQASA-N
MW226.32 g/mol
LogP2.85
Rot. Bonds8

About (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one

(Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one (PubChem CID 24977179) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one.

Molecular Properties

Compound Name(Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one
PubChem CID24977179
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one
SMILESCCC/C=C\CCC(=O)CCC1OCCO1
InChIInChI=1S/C13H22O3/c1-2-3-4-5-6-7-12(14)8-9-13-15-10-11-16-13/h4-5,13H,2-3,6-11H2,1H3/b5-4-
InChIKeyNWTDCIRIHYDYIR-PLNGDYQASA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
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 (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one?
The IUPAC name of (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one (CID 24977179) is (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one.
What is the SMILES notation for (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one?
The canonical SMILES for (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one is CCC/C=C\CCC(=O)CCC1OCCO1.
What is the InChIKey of (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one?
The InChIKey is NWTDCIRIHYDYIR-PLNGDYQASA-N. The full InChI is InChI=1S/C13H22O3/c1-2-3-4-5-6-7-12(14)8-9-13-15-10-11-16-13/h4-5,13H,2-3,6-11H2,1H3/b5-4-.
What are the key properties of (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one?
(Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one has a molecular weight of 226.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,3-dioxolan-2-yl)dec-6-en-3-one is sourced from PubChem (CID 24977179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).