ethene;toluene;dihydrochloride

C9H14Cl2 — CID 174276009

IUPACethene;toluene;dihydrochloride
SMILESC=C.Cc1ccccc1.Cl.Cl
InChIInChI=1S/C7H8.C2H4.2ClH/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H3;1-2H2;2*1H
InChIKeyCORNBUSUGSWIER-UHFFFAOYSA-N
MW193.12 g/mol
LogP3.64
Rot. Bonds

About ethene;toluene;dihydrochloride

ethene;toluene;dihydrochloride (PubChem CID 174276009) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is ethene;toluene;dihydrochloride.

Molecular Properties

Compound Nameethene;toluene;dihydrochloride
PubChem CID174276009
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Nameethene;toluene;dihydrochloride
SMILESC=C.Cc1ccccc1.Cl.Cl
InChIInChI=1S/C7H8.C2H4.2ClH/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H3;1-2H2;2*1H
InChIKeyCORNBUSUGSWIER-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethene;toluene
CID 22237200
toluene;dihydrochloride
CID 66712893
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CID 174345064
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CID 174718669
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CID 174723656
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CID 173426861
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CID 173359936
benzene;toluene
CID 158487474
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CID 101240530
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CID 22023820
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CID 174689155
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CID 159315944

Frequently Asked Questions

What is the IUPAC name of ethene;toluene;dihydrochloride?
The IUPAC name of ethene;toluene;dihydrochloride (CID 174276009) is ethene;toluene;dihydrochloride.
What is the SMILES notation for ethene;toluene;dihydrochloride?
The canonical SMILES for ethene;toluene;dihydrochloride is C=C.Cc1ccccc1.Cl.Cl.
What is the InChIKey of ethene;toluene;dihydrochloride?
The InChIKey is CORNBUSUGSWIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H4.2ClH/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H3;1-2H2;2*1H.
What are the key properties of ethene;toluene;dihydrochloride?
ethene;toluene;dihydrochloride has a molecular weight of 193.12 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;toluene;dihydrochloride is sourced from PubChem (CID 174276009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).