3-prop-2-enylsulfonyloct-1-ene

C11H20O2S — CID 173000967

IUPAC3-prop-2-enylsulfonyloct-1-ene
SMILESC=CCS(=O)(=O)C(C=C)CCCCC
InChIInChI=1S/C11H20O2S/c1-4-7-8-9-11(6-3)14(12,13)10-5-2/h5-6,11H,2-4,7-10H2,1H3
InChIKeyJLEQSWAQJGGVQB-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.72
Rot. Bonds8

About 3-prop-2-enylsulfonyloct-1-ene

3-prop-2-enylsulfonyloct-1-ene (PubChem CID 173000967) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-prop-2-enylsulfonyloct-1-ene.

Molecular Properties

Compound Name3-prop-2-enylsulfonyloct-1-ene
PubChem CID173000967
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name3-prop-2-enylsulfonyloct-1-ene
SMILESC=CCS(=O)(=O)C(C=C)CCCCC
InChIInChI=1S/C11H20O2S/c1-4-7-8-9-11(6-3)14(12,13)10-5-2/h5-6,11H,2-4,7-10H2,1H3
InChIKeyJLEQSWAQJGGVQB-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-prop-2-enylsulfonylundecanamide
CID 174284735
1-prop-2-enylsulfonylhexane
CID 26365912
3-pent-1-en-3-ylsulfonylpent-1-ene
CID 87156214
sodium henicos-1-en-3-yl sulfate
CID 87898302
icosane-9-sulfonic acid;prop-2-en-1-amine
CID 175529168
10-ethenylnonadecane
CID 57244946
3-ethenylnon-1-ene
CID 123641938
3-deuteriooct-1-en-3-ol
CID 91592547
lithium;carbanide;pentyl prop-2-ene-1-sulfonate
CID 174547804
3-methylbut-1-ene;2-methylheptane
CID 157223055
(3R)-3-ethyloct-1-ene
CID 50898077
ethane;9-ethenylheptadecane;octane
CID 168985515

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfonyloct-1-ene?
The IUPAC name of 3-prop-2-enylsulfonyloct-1-ene (CID 173000967) is 3-prop-2-enylsulfonyloct-1-ene.
What is the SMILES notation for 3-prop-2-enylsulfonyloct-1-ene?
The canonical SMILES for 3-prop-2-enylsulfonyloct-1-ene is C=CCS(=O)(=O)C(C=C)CCCCC.
What is the InChIKey of 3-prop-2-enylsulfonyloct-1-ene?
The InChIKey is JLEQSWAQJGGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-4-7-8-9-11(6-3)14(12,13)10-5-2/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 3-prop-2-enylsulfonyloct-1-ene?
3-prop-2-enylsulfonyloct-1-ene has a molecular weight of 216.35 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfonyloct-1-ene is sourced from PubChem (CID 173000967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).