chloroform;ethane-1,2-diol;hexane;1,4-xylene

C17H31Cl3O2 — CID 174964362

IUPACchloroform;ethane-1,2-diol;hexane;1,4-xylene
SMILESCCCCCC.Cc1ccc(C)cc1.ClC(Cl)Cl.OCCO
InChIInChI=1S/C8H10.C6H14.C2H6O2.CHCl3/c1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;3-1-2-4;2-1(3)4/h3-6H,1-2H3;3-6H2,1-2H3;3-4H,1-2H2;1H
InChIKeyPFLQCLVYFSHKKW-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.85
Rot. Bonds4

About chloroform;ethane-1,2-diol;hexane;1,4-xylene

chloroform;ethane-1,2-diol;hexane;1,4-xylene (PubChem CID 174964362) has the molecular formula C17H31Cl3O2 and a molecular weight of 373.79 g/mol. Its IUPAC name is chloroform;ethane-1,2-diol;hexane;1,4-xylene.

Molecular Properties

Compound Namechloroform;ethane-1,2-diol;hexane;1,4-xylene
PubChem CID174964362
Molecular FormulaC17H31Cl3O2
Molecular Weight373.79 g/mol
Exact Mass372.14
IUPAC Namechloroform;ethane-1,2-diol;hexane;1,4-xylene
SMILESCCCCCC.Cc1ccc(C)cc1.ClC(Cl)Cl.OCCO
InChIInChI=1S/C8H10.C6H14.C2H6O2.CHCl3/c1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;3-1-2-4;2-1(3)4/h3-6H,1-2H3;3-6H2,1-2H3;3-4H,1-2H2;1H
InChIKeyPFLQCLVYFSHKKW-UHFFFAOYSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.79
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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4-methylbenzenesulfonic acid;undecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of chloroform;ethane-1,2-diol;hexane;1,4-xylene?
The IUPAC name of chloroform;ethane-1,2-diol;hexane;1,4-xylene (CID 174964362) is chloroform;ethane-1,2-diol;hexane;1,4-xylene.
What is the SMILES notation for chloroform;ethane-1,2-diol;hexane;1,4-xylene?
The canonical SMILES for chloroform;ethane-1,2-diol;hexane;1,4-xylene is CCCCCC.Cc1ccc(C)cc1.ClC(Cl)Cl.OCCO.
What is the InChIKey of chloroform;ethane-1,2-diol;hexane;1,4-xylene?
The InChIKey is PFLQCLVYFSHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H14.C2H6O2.CHCl3/c1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;3-1-2-4;2-1(3)4/h3-6H,1-2H3;3-6H2,1-2H3;3-4H,1-2H2;1H.
What are the key properties of chloroform;ethane-1,2-diol;hexane;1,4-xylene?
chloroform;ethane-1,2-diol;hexane;1,4-xylene has a molecular weight of 373.79 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethane-1,2-diol;hexane;1,4-xylene is sourced from PubChem (CID 174964362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).