ethoxyethane;1,2,3-trichlorohexane

C10H21Cl3O — CID 89439403

IUPACethoxyethane;1,2,3-trichlorohexane
SMILESCCCC(Cl)C(Cl)CCl.CCOCC
InChIInChI=1S/C6H11Cl3.C4H10O/c1-2-3-5(8)6(9)4-7;1-3-5-4-2/h5-6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyLLXGTQKCABKPRN-UHFFFAOYSA-N
MW263.64 g/mol
LogP4.28
Rot. Bonds6

About ethoxyethane;1,2,3-trichlorohexane

ethoxyethane;1,2,3-trichlorohexane (PubChem CID 89439403) has the molecular formula C10H21Cl3O and a molecular weight of 263.64 g/mol. Its IUPAC name is ethoxyethane;1,2,3-trichlorohexane.

Molecular Properties

Compound Nameethoxyethane;1,2,3-trichlorohexane
PubChem CID89439403
Molecular FormulaC10H21Cl3O
Molecular Weight263.64 g/mol
Exact Mass262.07
IUPAC Nameethoxyethane;1,2,3-trichlorohexane
SMILESCCCC(Cl)C(Cl)CCl.CCOCC
InChIInChI=1S/C6H11Cl3.C4H10O/c1-2-3-5(8)6(9)4-7;1-3-5-4-2/h5-6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyLLXGTQKCABKPRN-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 54.28
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

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chloroform;ethanol;ethoxyethane
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CID 174722210
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CID 22662862
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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1,2,3-trichlorohexane?
The IUPAC name of ethoxyethane;1,2,3-trichlorohexane (CID 89439403) is ethoxyethane;1,2,3-trichlorohexane.
What is the SMILES notation for ethoxyethane;1,2,3-trichlorohexane?
The canonical SMILES for ethoxyethane;1,2,3-trichlorohexane is CCCC(Cl)C(Cl)CCl.CCOCC.
What is the InChIKey of ethoxyethane;1,2,3-trichlorohexane?
The InChIKey is LLXGTQKCABKPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl3.C4H10O/c1-2-3-5(8)6(9)4-7;1-3-5-4-2/h5-6H,2-4H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1,2,3-trichlorohexane?
ethoxyethane;1,2,3-trichlorohexane has a molecular weight of 263.64 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1,2,3-trichlorohexane is sourced from PubChem (CID 89439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).