1-(trichloromethoxy)hexane

C7H13Cl3O — CID 87956638

IUPAC1-(trichloromethoxy)hexane
SMILESCCCCCCOC(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3O/c1-2-3-4-5-6-11-7(8,9)10/h2-6H2,1H3
InChIKeySOUSLTVMJZLXOV-UHFFFAOYSA-N
MW219.54 g/mol
LogP3.91
Rot. Bonds5

About 1-(trichloromethoxy)hexane

1-(trichloromethoxy)hexane (PubChem CID 87956638) has the molecular formula C7H13Cl3O and a molecular weight of 219.54 g/mol. Its IUPAC name is 1-(trichloromethoxy)hexane.

Molecular Properties

Compound Name1-(trichloromethoxy)hexane
PubChem CID87956638
Molecular FormulaC7H13Cl3O
Molecular Weight219.54 g/mol
Exact Mass218.00
IUPAC Name1-(trichloromethoxy)hexane
SMILESCCCCCCOC(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3O/c1-2-3-4-5-6-11-7(8,9)10/h2-6H2,1H3
InChIKeySOUSLTVMJZLXOV-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
10-decoxy-10-nonylnonadecane
CID 150430521
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
trioctoxymethoxyphosphane
CID 175426752
azane;2-dodecoxypropan-2-ol
CID 87960511
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564
decane;ruthenium
CID 160818595
2,2,2-trihexoxyacetaldehyde
CID 88826510
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
4,4-dipentoxytridecane
CID 150402661
1-decoxydecane-1,1-diamine
CID 87410137

Frequently Asked Questions

What is the IUPAC name of 1-(trichloromethoxy)hexane?
The IUPAC name of 1-(trichloromethoxy)hexane (CID 87956638) is 1-(trichloromethoxy)hexane.
What is the SMILES notation for 1-(trichloromethoxy)hexane?
The canonical SMILES for 1-(trichloromethoxy)hexane is CCCCCCOC(Cl)(Cl)Cl.
What is the InChIKey of 1-(trichloromethoxy)hexane?
The InChIKey is SOUSLTVMJZLXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3O/c1-2-3-4-5-6-11-7(8,9)10/h2-6H2,1H3.
What are the key properties of 1-(trichloromethoxy)hexane?
1-(trichloromethoxy)hexane has a molecular weight of 219.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethoxy)hexane is sourced from PubChem (CID 87956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).