2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one

C10H11Cl3O2 — CID 616174

IUPAC2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
SMILESO=C1C=C(C(Cl)(Cl)Cl)OC12CCCCC2
InChIInChI=1S/C10H11Cl3O2/c11-10(12,13)8-6-7(14)9(15-8)4-2-1-3-5-9/h6H,1-5H2
InChIKeyPKYFWKOWNUDNDR-UHFFFAOYSA-N
MW269.55 g/mol
LogP3.54
Rot. Bonds

About 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one

2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one (PubChem CID 616174) has the molecular formula C10H11Cl3O2 and a molecular weight of 269.55 g/mol. Its IUPAC name is 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
PubChem CID616174
Molecular FormulaC10H11Cl3O2
Molecular Weight269.55 g/mol
Exact Mass267.98
IUPAC Name2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
SMILESO=C1C=C(C(Cl)(Cl)Cl)OC12CCCCC2
InChIInChI=1S/C10H11Cl3O2/c11-10(12,13)8-6-7(14)9(15-8)4-2-1-3-5-9/h6H,1-5H2
InChIKeyPKYFWKOWNUDNDR-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one (CID 616174) is 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one is O=C1C=C(C(Cl)(Cl)Cl)OC12CCCCC2.
What is the InChIKey of 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
The InChIKey is PKYFWKOWNUDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O2/c11-10(12,13)8-6-7(14)9(15-8)4-2-1-3-5-9/h6H,1-5H2.
What are the key properties of 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one has a molecular weight of 269.55 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 616174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).