7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one

C7H6Cl2O3 — CID 15346783

IUPAC7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one
SMILESO=C1C(Cl)=CC2(OCCO2)C1Cl
InChIInChI=1S/C7H6Cl2O3/c8-4-3-7(6(9)5(4)10)11-1-2-12-7/h3,6H,1-2H2
InChIKeyYOTLJAMTFLQBQY-UHFFFAOYSA-N
MW209.03 g/mol
LogP1.04
Rot. Bonds

About 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one

7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one (PubChem CID 15346783) has the molecular formula C7H6Cl2O3 and a molecular weight of 209.03 g/mol. Its IUPAC name is 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one.

Molecular Properties

Compound Name7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one
PubChem CID15346783
Molecular FormulaC7H6Cl2O3
Molecular Weight209.03 g/mol
Exact Mass207.97
IUPAC Name7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one
SMILESO=C1C(Cl)=CC2(OCCO2)C1Cl
InChIInChI=1S/C7H6Cl2O3/c8-4-3-7(6(9)5(4)10)11-1-2-12-7/h3,6H,1-2H2
InChIKeyYOTLJAMTFLQBQY-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ST4070890
CID 3811224
2-Chloro-4,4-ethylenedioxycyclopent-2-en-1-one
CID 15383053
1,4-Dioxaspiro[4.4]non-8-en-7-one, 8,9-dichloro-
CID 4366630
Lfxmygvenkxlqq-uhfffaoysa-
CID 15306798
(6S)-6,8,9-trichloro-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 706467
(6R)-6,8,9-trichloro-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 706468
6,8-Dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315374
(6E)-8,9-dichloro-6-hexylidene-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 21627566
(6Z)-8,9-dichloro-6-hexylidene-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 21627567

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one?
The IUPAC name of 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one (CID 15346783) is 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one.
What is the SMILES notation for 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one?
The canonical SMILES for 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one is O=C1C(Cl)=CC2(OCCO2)C1Cl.
What is the InChIKey of 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one?
The InChIKey is YOTLJAMTFLQBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3/c8-4-3-7(6(9)5(4)10)11-1-2-12-7/h3,6H,1-2H2.
What are the key properties of 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one?
7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one has a molecular weight of 209.03 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one is sourced from PubChem (CID 15346783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).