6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one

C9H11ClO5 — CID 15549818

IUPAC6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESO=C1C=C(OCCO)C2(OCCO2)C1Cl
InChIInChI=1S/C9H11ClO5/c10-8-6(12)5-7(13-2-1-11)9(8)14-3-4-15-9/h5,8,11H,1-4H2
InChIKeyZBENZTNDXANFLL-UHFFFAOYSA-N
MW234.63 g/mol
LogP-0.19
Rot. Bonds3

About 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one

6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 15549818) has the molecular formula C9H11ClO5 and a molecular weight of 234.63 g/mol. Its IUPAC name is 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID15549818
Molecular FormulaC9H11ClO5
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESO=C1C=C(OCCO)C2(OCCO2)C1Cl
InChIInChI=1S/C9H11ClO5/c10-8-6(12)5-7(13-2-1-11)9(8)14-3-4-15-9/h5,8,11H,1-4H2
InChIKeyZBENZTNDXANFLL-UHFFFAOYSA-N
XLogP-0.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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
6,8-Dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315374

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 15549818) is 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one is O=C1C=C(OCCO)C2(OCCO2)C1Cl.
What is the InChIKey of 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is ZBENZTNDXANFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5/c10-8-6(12)5-7(13-2-1-11)9(8)14-3-4-15-9/h5,8,11H,1-4H2.
What are the key properties of 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one?
6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 234.63 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(2-hydroxyethoxy)-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 15549818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).