oct-1-ene;tetrahydrochloride

C8H20Cl4 — CID 172847494

IUPACoct-1-ene;tetrahydrochloride
SMILESC=CCCCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C8H16.4ClH/c1-3-5-7-8-6-4-2;;;;/h3H,1,4-8H2,2H3;4*1H
InChIKeyXPWGZJOWBNZYRP-UHFFFAOYSA-N
MW258.06 g/mol
LogP4.83
Rot. Bonds5

About oct-1-ene;tetrahydrochloride

oct-1-ene;tetrahydrochloride (PubChem CID 172847494) has the molecular formula C8H20Cl4 and a molecular weight of 258.06 g/mol. Its IUPAC name is oct-1-ene;tetrahydrochloride.

Molecular Properties

Compound Nameoct-1-ene;tetrahydrochloride
PubChem CID172847494
Molecular FormulaC8H20Cl4
Molecular Weight258.06 g/mol
Exact Mass256.03
IUPAC Nameoct-1-ene;tetrahydrochloride
SMILESC=CCCCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C8H16.4ClH/c1-3-5-7-8-6-4-2;;;;/h3H,1,4-8H2,2H3;4*1H
InChIKeyXPWGZJOWBNZYRP-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238
azane;oct-1-ene;stibane
CID 174580801
azane;undec-1-ene;hydrobromide
CID 175982130

Frequently Asked Questions

What is the IUPAC name of oct-1-ene;tetrahydrochloride?
The IUPAC name of oct-1-ene;tetrahydrochloride (CID 172847494) is oct-1-ene;tetrahydrochloride.
What is the SMILES notation for oct-1-ene;tetrahydrochloride?
The canonical SMILES for oct-1-ene;tetrahydrochloride is C=CCCCCCC.Cl.Cl.Cl.Cl.
What is the InChIKey of oct-1-ene;tetrahydrochloride?
The InChIKey is XPWGZJOWBNZYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.4ClH/c1-3-5-7-8-6-4-2;;;;/h3H,1,4-8H2,2H3;4*1H.
What are the key properties of oct-1-ene;tetrahydrochloride?
oct-1-ene;tetrahydrochloride has a molecular weight of 258.06 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-ene;tetrahydrochloride is sourced from PubChem (CID 172847494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).