(Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene

C12H22O2S — CID 88758216

IUPAC(Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene
SMILESCC/C=C\CCS(=O)(=O)CC/C=C\CC
InChIInChI=1S/C12H22O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKeyPRLQWQHJSRHRDO-SFECMWDFSA-N
MW230.37 g/mol
LogP3.11
Rot. Bonds8

About (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene

(Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene (PubChem CID 88758216) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene.

Molecular Properties

Compound Name(Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene
PubChem CID88758216
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name(Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene
SMILESCC/C=C\CCS(=O)(=O)CC/C=C\CC
InChIInChI=1S/C12H22O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKeyPRLQWQHJSRHRDO-SFECMWDFSA-N
XLogP3.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.11
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 (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene?
The IUPAC name of (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene (CID 88758216) is (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene.
What is the SMILES notation for (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene?
The canonical SMILES for (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene is CC/C=C\CCS(=O)(=O)CC/C=C\CC.
What is the InChIKey of (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene?
The InChIKey is PRLQWQHJSRHRDO-SFECMWDFSA-N. The full InChI is InChI=1S/C12H22O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-.
What are the key properties of (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene?
(Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene has a molecular weight of 230.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(Z)-hex-3-enyl]sulfonylhex-3-ene is sourced from PubChem (CID 88758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).