(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one

C10H14Cl2O — CID 129321055

IUPAC(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one
SMILESO=C1C[C@H](C2CCCCC2)C1(Cl)Cl
InChIInChI=1S/C10H14Cl2O/c11-10(12)8(6-9(10)13)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m1/s1
InChIKeySGTKYKSNIWKMSF-MRVPVSSYSA-N
MW221.13 g/mol
LogP3.33
Rot. Bonds1

About (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one

(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one (PubChem CID 129321055) has the molecular formula C10H14Cl2O and a molecular weight of 221.13 g/mol. Its IUPAC name is (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one.

Molecular Properties

Compound Name(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one
PubChem CID129321055
Molecular FormulaC10H14Cl2O
Molecular Weight221.13 g/mol
Exact Mass220.04
IUPAC Name(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one
SMILESO=C1C[C@H](C2CCCCC2)C1(Cl)Cl
InChIInChI=1S/C10H14Cl2O/c11-10(12)8(6-9(10)13)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m1/s1
InChIKeySGTKYKSNIWKMSF-MRVPVSSYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 53.33
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

(1S,10R)-12,12-dichlorobicyclo[8.2.0]dodecan-11-one
CID 131865785
4-cyclohexyl-5,5-dimethylpyrrolidin-2-one
CID 66106336
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
2,3-dicyclohexylcyclopropan-1-one
CID 11172060
tricyclo[5.2.1.01,6]decan-9-one
CID 13093324
cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one
CID 135023929
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
(4aR)-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-one
CID 156705467
3-cyclohexylcyclopentan-1-one
CID 11105726
cyclononylcycloicosane
CID 123187062
cyclohexylcycloheptane
CID 524589

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one?
The IUPAC name of (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one (CID 129321055) is (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one.
What is the SMILES notation for (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one?
The canonical SMILES for (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one is O=C1C[C@H](C2CCCCC2)C1(Cl)Cl.
What is the InChIKey of (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one?
The InChIKey is SGTKYKSNIWKMSF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14Cl2O/c11-10(12)8(6-9(10)13)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m1/s1.
What are the key properties of (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one?
(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one has a molecular weight of 221.13 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one is sourced from PubChem (CID 129321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).