6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one

C10H10Cl2O4 — CID 15315374

IUPAC6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESC=CCOC1=C(Cl)C(=O)C(Cl)C12OCCO2
InChIInChI=1S/C10H10Cl2O4/c1-2-3-14-9-6(11)7(13)8(12)10(9)15-4-5-16-10/h2,8H,1,3-5H2
InChIKeyDBXDNBAXIBPPSJ-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.57
Rot. Bonds3

About 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one

6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 15315374) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID15315374
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESC=CCOC1=C(Cl)C(=O)C(Cl)C12OCCO2
InChIInChI=1S/C10H10Cl2O4/c1-2-3-14-9-6(11)7(13)8(12)10(9)15-4-5-16-10/h2,8H,1,3-5H2
InChIKeyDBXDNBAXIBPPSJ-UHFFFAOYSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Launch Full Analysis

Related Compounds

6-(2-Hydroxyethyloxy)-9-chloro-1,4-dioxaspiro-[4.4]non-6-en-8-one
CID 15549818
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
8-Chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315373
7,9-Dichloro-1,4-dioxaspiro[4.4]non-6-en-8-one
CID 15346783
8-Chloro-9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15383054
1,3-Dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one
CID 15760607

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 15315374) is 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one is C=CCOC1=C(Cl)C(=O)C(Cl)C12OCCO2.
What is the InChIKey of 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is DBXDNBAXIBPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-2-3-14-9-6(11)7(13)8(12)10(9)15-4-5-16-10/h2,8H,1,3-5H2.
What are the key properties of 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 265.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 15315374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).