(Z)-1-methylsulfonyloct-1-ene

C9H18O2S — CID 102273513

IUPAC(Z)-1-methylsulfonyloct-1-ene
SMILESCCCCCC/C=C\S(C)(=O)=O
InChIInChI=1S/C9H18O2S/c1-3-4-5-6-7-8-9-12(2,10)11/h8-9H,3-7H2,1-2H3/b9-8-
InChIKeyAMRIAMHVUGMOMO-HJWRWDBZSA-N
MW190.31 g/mol
LogP2.52
Rot. Bonds6

About (Z)-1-methylsulfonyloct-1-ene

(Z)-1-methylsulfonyloct-1-ene (PubChem CID 102273513) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (Z)-1-methylsulfonyloct-1-ene.

Molecular Properties

Compound Name(Z)-1-methylsulfonyloct-1-ene
PubChem CID102273513
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(Z)-1-methylsulfonyloct-1-ene
SMILESCCCCCC/C=C\S(C)(=O)=O
InChIInChI=1S/C9H18O2S/c1-3-4-5-6-7-8-9-12(2,10)11/h8-9H,3-7H2,1-2H3/b9-8-
InChIKeyAMRIAMHVUGMOMO-HJWRWDBZSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecene-1-sulfonic acid, sodium salt
CID 74086827
1-Decene-1-sulfonic acid, sodium salt (1:1)
CID 6450292
1-octadecene-1-sulfonic acid, sodium salt
CID 71437853
Hexadecenesulfonic acid, sodium salt (1:1)
CID 23673665
1-Octene-1-sulfonic acid, sodium salt (1:1)
CID 6450205
(E)-oct-1-ene-1-sulfonyl fluoride
CID 14815683
1-hexadecene-1-sulfonic acid, sodium salt
CID 53438054
(E)-1-(bromomethylsulfonyl)-oct-1-ene
CID 13172738
Pentadecene-1-sulfonic acid, sodium salt (1:1)
CID 23668629
1-Tetradecene-1-sulfonic acid, sodium salt (1:1)
CID 23712986
Bromomethyl (e)-hept-1-en-1-yl sulfone
CID 20240627
1-Octenyl bromomethyl sulfone
CID 54374899

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methylsulfonyloct-1-ene?
The IUPAC name of (Z)-1-methylsulfonyloct-1-ene (CID 102273513) is (Z)-1-methylsulfonyloct-1-ene.
What is the SMILES notation for (Z)-1-methylsulfonyloct-1-ene?
The canonical SMILES for (Z)-1-methylsulfonyloct-1-ene is CCCCCC/C=C\S(C)(=O)=O.
What is the InChIKey of (Z)-1-methylsulfonyloct-1-ene?
The InChIKey is AMRIAMHVUGMOMO-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18O2S/c1-3-4-5-6-7-8-9-12(2,10)11/h8-9H,3-7H2,1-2H3/b9-8-.
What are the key properties of (Z)-1-methylsulfonyloct-1-ene?
(Z)-1-methylsulfonyloct-1-ene has a molecular weight of 190.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methylsulfonyloct-1-ene is sourced from PubChem (CID 102273513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).