(Z)-7-ethylsulfonylhept-3-ene

C9H18O2S — CID 89382151

IUPAC(Z)-7-ethylsulfonylhept-3-ene
SMILESCC/C=C\CCCS(=O)(=O)CC
InChIInChI=1S/C9H18O2S/c1-3-5-6-7-8-9-12(10,11)4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyCFFFVRCLHBORFQ-WAYWQWQTSA-N
MW190.31 g/mol
LogP2.17
Rot. Bonds6

About (Z)-7-ethylsulfonylhept-3-ene

(Z)-7-ethylsulfonylhept-3-ene (PubChem CID 89382151) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (Z)-7-ethylsulfonylhept-3-ene.

Molecular Properties

Compound Name(Z)-7-ethylsulfonylhept-3-ene
PubChem CID89382151
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(Z)-7-ethylsulfonylhept-3-ene
SMILESCC/C=C\CCCS(=O)(=O)CC
InChIInChI=1S/C9H18O2S/c1-3-5-6-7-8-9-12(10,11)4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyCFFFVRCLHBORFQ-WAYWQWQTSA-N
XLogP2.17
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 ≤ 52.17
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'}

Analyze (Z)-7-ethylsulfonylhept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethylsulfonylhept-3-en-1-amine
CID 79592026
7-ethylsulfonyl-N-propylhept-3-en-1-amine
CID 79591067
(3E,16E)-nonadeca-3,16-diene
CID 157471321
lithium (Z)-oct-3-ene
CID 173433093
bis[(E)-oct-5-enyl] sulfate
CID 20847790
N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-non-3-ene
CID 5364445

Frequently Asked Questions

What is the IUPAC name of (Z)-7-ethylsulfonylhept-3-ene?
The IUPAC name of (Z)-7-ethylsulfonylhept-3-ene (CID 89382151) is (Z)-7-ethylsulfonylhept-3-ene.
What is the SMILES notation for (Z)-7-ethylsulfonylhept-3-ene?
The canonical SMILES for (Z)-7-ethylsulfonylhept-3-ene is CC/C=C\CCCS(=O)(=O)CC.
What is the InChIKey of (Z)-7-ethylsulfonylhept-3-ene?
The InChIKey is CFFFVRCLHBORFQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18O2S/c1-3-5-6-7-8-9-12(10,11)4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-.
What are the key properties of (Z)-7-ethylsulfonylhept-3-ene?
(Z)-7-ethylsulfonylhept-3-ene has a molecular weight of 190.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-ethylsulfonylhept-3-ene is sourced from PubChem (CID 89382151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).