oct-1-ene;sulfur trioxide

C8H16O3S — CID 174327182

IUPACoct-1-ene;sulfur trioxide
SMILESC=CCCCCCC.O=S(=O)=O
InChIInChI=1S/C8H16.O3S/c1-3-5-7-8-6-4-2;1-4(2)3/h3H,1,4-8H2,2H3;
InChIKeyUKUDVYIIZWZVAE-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.14
Rot. Bonds5

About oct-1-ene;sulfur trioxide

oct-1-ene;sulfur trioxide (PubChem CID 174327182) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is oct-1-ene;sulfur trioxide.

Molecular Properties

Compound Nameoct-1-ene;sulfur trioxide
PubChem CID174327182
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Nameoct-1-ene;sulfur trioxide
SMILESC=CCCCCCC.O=S(=O)=O
InChIInChI=1S/C8H16.O3S/c1-3-5-7-8-6-4-2;1-4(2)3/h3H,1,4-8H2,2H3;
InChIKeyUKUDVYIIZWZVAE-UHFFFAOYSA-N
XLogP2.14
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238
azane;undec-1-ene;hydrobromide
CID 175982130

Frequently Asked Questions

What is the IUPAC name of oct-1-ene;sulfur trioxide?
The IUPAC name of oct-1-ene;sulfur trioxide (CID 174327182) is oct-1-ene;sulfur trioxide.
What is the SMILES notation for oct-1-ene;sulfur trioxide?
The canonical SMILES for oct-1-ene;sulfur trioxide is C=CCCCCCC.O=S(=O)=O.
What is the InChIKey of oct-1-ene;sulfur trioxide?
The InChIKey is UKUDVYIIZWZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.O3S/c1-3-5-7-8-6-4-2;1-4(2)3/h3H,1,4-8H2,2H3;.
What are the key properties of oct-1-ene;sulfur trioxide?
oct-1-ene;sulfur trioxide has a molecular weight of 192.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-ene;sulfur trioxide is sourced from PubChem (CID 174327182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).