5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one

C8H10Cl2O — CID 534207

IUPAC5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one
SMILESCC1(C)C(Cl)(Cl)C(=O)C12CC2
InChIInChI=1S/C8H10Cl2O/c1-6(2)7(3-4-7)5(11)8(6,9)10/h3-4H2,1-2H3
InChIKeyHJNNWBWNBUMYDR-UHFFFAOYSA-N
MW193.07 g/mol
LogP2.55
Rot. Bonds

About 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one

5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one (PubChem CID 534207) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one.

Molecular Properties

Compound Name5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one
PubChem CID534207
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one
SMILESCC1(C)C(Cl)(Cl)C(=O)C12CC2
InChIInChI=1S/C8H10Cl2O/c1-6(2)7(3-4-7)5(11)8(6,9)10/h3-4H2,1-2H3
InChIKeyHJNNWBWNBUMYDR-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
3,3-dichloro-4,4,6,6-tetramethylazepan-2-one
CID 117060448
(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
CID 131848322
(1S,4R)-1,4,7,7-tetramethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 59110969
(1R,5S)-7-chloro-1,5-dimethylbicyclo[3.1.1]heptan-6-one
CID 130739065
3,3-dichloro-1-oxaspiro[3.4]octan-2-one
CID 10607885
1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
CID 535012
4-chloro-1,4,5-trimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 71385715
4-chloro-4-methyl-1,3-dioxan-2-one
CID 154202045
(3S,4S)-4-tert-butyl-3-chloro-3-methyloxetan-2-one
CID 10654873
6,9,9-trimethyl-3,3,5-trioxo-3λ6-thia-2-azatricyclo[4.2.1.01,4]nonane-4-sulfonamide
CID 154646334
5,5-dimethyltrioxane-4,6-dione
CID 57073887

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one?
The IUPAC name of 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one (CID 534207) is 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one.
What is the SMILES notation for 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one?
The canonical SMILES for 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one is CC1(C)C(Cl)(Cl)C(=O)C12CC2.
What is the InChIKey of 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one?
The InChIKey is HJNNWBWNBUMYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c1-6(2)7(3-4-7)5(11)8(6,9)10/h3-4H2,1-2H3.
What are the key properties of 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one?
5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one has a molecular weight of 193.07 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-6,6-dimethylspiro[2.3]hexan-4-one is sourced from PubChem (CID 534207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).