2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole

C10H15Cl4NO — CID 23348007

IUPAC2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(CC1=NCCO1)C(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C10H15Cl4NO/c1-9(2,6-8-15-3-4-16-8)7(11)5-10(12,13)14/h7H,3-6H2,1-2H3
InChIKeySDDLDRFMVOGRHF-UHFFFAOYSA-N
MW307.05 g/mol
LogP4.20
Rot. Bonds4

About 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole

2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole (PubChem CID 23348007) has the molecular formula C10H15Cl4NO and a molecular weight of 307.05 g/mol. Its IUPAC name is 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole
PubChem CID23348007
Molecular FormulaC10H15Cl4NO
Molecular Weight307.05 g/mol
Exact Mass304.99
IUPAC Name2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(CC1=NCCO1)C(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C10H15Cl4NO/c1-9(2,6-8-15-3-4-16-8)7(11)5-10(12,13)14/h7H,3-6H2,1-2H3
InChIKeySDDLDRFMVOGRHF-UHFFFAOYSA-N
XLogP4.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.05
LogP ≤ 54.20
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-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole (CID 23348007) is 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole is CC(C)(CC1=NCCO1)C(Cl)CC(Cl)(Cl)Cl.
What is the InChIKey of 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SDDLDRFMVOGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl4NO/c1-9(2,6-8-15-3-4-16-8)7(11)5-10(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole?
2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 307.05 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23348007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).