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

C12H20O3 — CID 131857971

IUPAC(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one
SMILESCC/C=C\CCC(=O)CCC1OCCO1
InChIInChI=1S/C12H20O3/c1-2-3-4-5-6-11(13)7-8-12-14-9-10-15-12/h3-4,12H,2,5-10H2,1H3/b4-3-
InChIKeyMAHWYFQELBZYDC-ARJAWSKDSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds7

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

(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one (PubChem CID 131857971) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one.

Molecular Properties

Compound Name(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one
PubChem CID131857971
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one
SMILESCC/C=C\CCC(=O)CCC1OCCO1
InChIInChI=1S/C12H20O3/c1-2-3-4-5-6-11(13)7-8-12-14-9-10-15-12/h3-4,12H,2,5-10H2,1H3/b4-3-
InChIKeyMAHWYFQELBZYDC-ARJAWSKDSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohex-3-en-1-one
CID 13396914
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)hex-5-en-2-one
CID 14164704
(Z)-1-(1,3-Dioxan-2-yl)non-6-en-3-one
CID 20846346
2-[(6Z)-6-Octenyl]-1,3-dioxolane
CID 5366359
(E)-1-([1,3]dioxolan-2-yl)-hex-4-en-3-one
CID 14785733
(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
CID 59841782
11-(2-Methyl-1,3-dioxolan-2-yl)undec-5-enal
CID 72576194
2-[(Z)-dodec-9-enyl]-1,3-dioxolane
CID 134181528
2-Oct-6-enyl-1,3-dioxolane
CID 552110
2-[(Z)-non-6-enyl]-1,3-dioxolane
CID 10910500
(E)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-4-enal
CID 11461497
7-(1,3-Dioxolan-2-yl)hept-1-en-4-one
CID 11513877

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one?
The IUPAC name of (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one (CID 131857971) is (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one.
What is the SMILES notation for (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one?
The canonical SMILES for (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one is CC/C=C\CCC(=O)CCC1OCCO1.
What is the InChIKey of (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one?
The InChIKey is MAHWYFQELBZYDC-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-4-5-6-11(13)7-8-12-14-9-10-15-12/h3-4,12H,2,5-10H2,1H3/b4-3-.
What are the key properties of (Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one?
(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one has a molecular weight of 212.29 g/mol, XLogP of 2.45, 7 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)non-6-en-3-one is sourced from PubChem (CID 131857971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).