1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one

C10H10Cl2O4 — CID 15760607

IUPAC1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one
SMILESCOC1=C(Cl)C(=O)C(Cl)C12OCC=CCO2
InChIInChI=1S/C10H10Cl2O4/c1-14-9-6(11)7(13)8(12)10(9)15-4-2-3-5-16-10/h2-3,8H,4-5H2,1H3
InChIKeyFJLLFSDFQQLGGT-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.57
Rot. Bonds1

About 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one

1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one (PubChem CID 15760607) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one.

Molecular Properties

Compound Name1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one
PubChem CID15760607
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one
SMILESCOC1=C(Cl)C(=O)C(Cl)C12OCC=CCO2
InChIInChI=1S/C10H10Cl2O4/c1-14-9-6(11)7(13)8(12)10(9)15-4-2-3-5-16-10/h2-3,8H,4-5H2,1H3
InChIKeyFJLLFSDFQQLGGT-UHFFFAOYSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dichloro-3,4,4-trimethoxycyclopent-2-en-1-one
CID 129756044
1,3-Dichloro-4-methoxy-6,9-dioxaspiro[4.4]non-3-en-2-one
CID 3589385
(6R)-6,8-dichloro-9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 706394
(6S)-6,8-dichloro-9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 706395
(5R)-2,5-dichloro-3,4,4-trimethoxy-5-prop-2-enylcyclopent-2-en-1-one
CID 14786232
8-Chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315373
6,8-Dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315374
(5S)-2,5-dichloro-3,4,4-trimethoxy-5-prop-2-enylcyclopent-2-en-1-one
CID 101943775

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one?
The IUPAC name of 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one (CID 15760607) is 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one.
What is the SMILES notation for 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one?
The canonical SMILES for 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one is COC1=C(Cl)C(=O)C(Cl)C12OCC=CCO2.
What is the InChIKey of 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one?
The InChIKey is FJLLFSDFQQLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-14-9-6(11)7(13)8(12)10(9)15-4-2-3-5-16-10/h2-3,8H,4-5H2,1H3.
What are the key properties of 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one?
1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one has a molecular weight of 265.09 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one is sourced from PubChem (CID 15760607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).