2-(2,2-dichlorobutyl)oxirane

C6H10Cl2O — CID 91466713

IUPAC2-(2,2-dichlorobutyl)oxirane
SMILESCCC(Cl)(Cl)CC1CO1
InChIInChI=1S/C6H10Cl2O/c1-2-6(7,8)3-5-4-9-5/h5H,2-4H2,1H3
InChIKeyZJFHQYOGXZTRPY-UHFFFAOYSA-N
MW169.05 g/mol
LogP2.36
Rot. Bonds3

About 2-(2,2-dichlorobutyl)oxirane

2-(2,2-dichlorobutyl)oxirane (PubChem CID 91466713) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is 2-(2,2-dichlorobutyl)oxirane.

Molecular Properties

Compound Name2-(2,2-dichlorobutyl)oxirane
PubChem CID91466713
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name2-(2,2-dichlorobutyl)oxirane
SMILESCCC(Cl)(Cl)CC1CO1
InChIInChI=1S/C6H10Cl2O/c1-2-6(7,8)3-5-4-9-5/h5H,2-4H2,1H3
InChIKeyZJFHQYOGXZTRPY-UHFFFAOYSA-N
XLogP2.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2-dichlorobutyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,2-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 140676181
3-(oxiran-2-ylmethyl)pentan-3-amine;hydrochloride
CID 173000885
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
2-(2-methoxy-2-methylbutyl)oxirane
CID 88854677
N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
CID 130392651
2-(2,2,3,3,4,5,5,5-octachloro-4-methylpentyl)oxirane
CID 19688989
2-(2,2-diethylpent-4-enyl)oxirane
CID 135036656
(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane
CID 7145783
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
butane;2-(chloromethyl)oxirane
CID 174952392
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichlorobutyl)oxirane?
The IUPAC name of 2-(2,2-dichlorobutyl)oxirane (CID 91466713) is 2-(2,2-dichlorobutyl)oxirane.
What is the SMILES notation for 2-(2,2-dichlorobutyl)oxirane?
The canonical SMILES for 2-(2,2-dichlorobutyl)oxirane is CCC(Cl)(Cl)CC1CO1.
What is the InChIKey of 2-(2,2-dichlorobutyl)oxirane?
The InChIKey is ZJFHQYOGXZTRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-2-6(7,8)3-5-4-9-5/h5H,2-4H2,1H3.
What are the key properties of 2-(2,2-dichlorobutyl)oxirane?
2-(2,2-dichlorobutyl)oxirane has a molecular weight of 169.05 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichlorobutyl)oxirane is sourced from PubChem (CID 91466713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).