1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene

C16H24O2S — CID 83927236

IUPAC1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C16H24O2S/c1-4-7-8-9-14(5-2)15-10-12-16(13-11-15)19(17,18)6-3/h7-8,10-14H,4-6,9H2,1-3H3/b8-7-
InChIKeyNOPJJRPVMNVYJT-FPLPWBNLSA-N
MW280.43 g/mol
LogP4.33
Rot. Bonds7

About 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene

1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene (PubChem CID 83927236) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
PubChem CID83927236
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C16H24O2S/c1-4-7-8-9-14(5-2)15-10-12-16(13-11-15)19(17,18)6-3/h7-8,10-14H,4-6,9H2,1-3H3/b8-7-
InChIKeyNOPJJRPVMNVYJT-FPLPWBNLSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene?
The IUPAC name of 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene (CID 83927236) is 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene.
What is the SMILES notation for 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene?
The canonical SMILES for 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene is CC/C=C\CC(CC)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene?
The InChIKey is NOPJJRPVMNVYJT-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H24O2S/c1-4-7-8-9-14(5-2)15-10-12-16(13-11-15)19(17,18)6-3/h7-8,10-14H,4-6,9H2,1-3H3/b8-7-.
What are the key properties of 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene?
1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene has a molecular weight of 280.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene is sourced from PubChem (CID 83927236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).