8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one

C7H7ClO3 — CID 15383053

IUPAC8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESO=C1CC2(C=C1Cl)OCCO2
InChIInChI=1S/C7H7ClO3/c8-5-3-7(4-6(5)9)10-1-2-11-7/h3H,1-2,4H2
InChIKeyAUZGEYRGJUNAHN-UHFFFAOYSA-N
MW174.58 g/mol
LogP0.82
Rot. Bonds

About 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one

8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 15383053) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID15383053
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESO=C1CC2(C=C1Cl)OCCO2
InChIInChI=1S/C7H7ClO3/c8-5-3-7(4-6(5)9)10-1-2-11-7/h3H,1-2,4H2
InChIKeyAUZGEYRGJUNAHN-UHFFFAOYSA-N
XLogP0.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 15383053) is 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one is O=C1CC2(C=C1Cl)OCCO2.
What is the InChIKey of 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is AUZGEYRGJUNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c8-5-3-7(4-6(5)9)10-1-2-11-7/h3H,1-2,4H2.
What are the key properties of 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one?
8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 174.58 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 15383053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).