2-methyl-1-(2,2,2-trichloroethoxy)propane

C6H11Cl3O — CID 138495364

IUPAC2-methyl-1-(2,2,2-trichloroethoxy)propane
SMILESCC(C)COCC(Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3O/c1-5(2)3-10-4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyGTUKUINMMWSQJY-UHFFFAOYSA-N
MW205.51 g/mol
LogP3.03
Rot. Bonds3

About 2-methyl-1-(2,2,2-trichloroethoxy)propane

2-methyl-1-(2,2,2-trichloroethoxy)propane (PubChem CID 138495364) has the molecular formula C6H11Cl3O and a molecular weight of 205.51 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trichloroethoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trichloroethoxy)propane
PubChem CID138495364
Molecular FormulaC6H11Cl3O
Molecular Weight205.51 g/mol
Exact Mass203.99
IUPAC Name2-methyl-1-(2,2,2-trichloroethoxy)propane
SMILESCC(C)COCC(Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3O/c1-5(2)3-10-4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyGTUKUINMMWSQJY-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(2,2,2-trichloroethoxy)propane 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

1,1,1-trichloro-2-(2,2-dichloroethoxy)ethane
CID 59653290
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175404874
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
1,1,2-tris(2-methylpropoxy)ethanol;zirconium
CID 87320742
titanium;1,1,2-tris(2-methylpropoxy)ethanol
CID 87320537
1-O-(2-methylpropyl) 4-O-(2,2,2-trichloroethyl) butanedioate
CID 91701519
N,2,2-trimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620527
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
2-methylpropoxymethyl hypochlorite
CID 122692331
2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
CID 19782043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trichloroethoxy)propane?
The IUPAC name of 2-methyl-1-(2,2,2-trichloroethoxy)propane (CID 138495364) is 2-methyl-1-(2,2,2-trichloroethoxy)propane.
What is the SMILES notation for 2-methyl-1-(2,2,2-trichloroethoxy)propane?
The canonical SMILES for 2-methyl-1-(2,2,2-trichloroethoxy)propane is CC(C)COCC(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-1-(2,2,2-trichloroethoxy)propane?
The InChIKey is GTUKUINMMWSQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl3O/c1-5(2)3-10-4-6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,2-trichloroethoxy)propane?
2-methyl-1-(2,2,2-trichloroethoxy)propane has a molecular weight of 205.51 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trichloroethoxy)propane is sourced from PubChem (CID 138495364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).