ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene

C22H34O2S — CID 142133860

IUPACethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene
SMILESC=C/C=C\C(\C=C\S(=O)(=O)CC(/C=C\C)=C/C=C)=C/C=C.CC.CC
InChIInChI=1S/C18H22O2S.2C2H6/c1-5-9-13-17(10-6-2)14-15-21(19,20)16-18(11-7-3)12-8-4;2*1-2/h5-15H,1-3,16H2,4H3;2*1-2H3/b12-8-,13-9-,15-14+,17-10+,18-11+;;
InChIKeyPCADXMZUWBJPQV-KAZATKPBSA-N
MW362.58 g/mol
LogP6.51
Rot. Bonds9

About ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene

ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene (PubChem CID 142133860) has the molecular formula C22H34O2S and a molecular weight of 362.58 g/mol. Its IUPAC name is ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene.

Molecular Properties

Compound Nameethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene
PubChem CID142133860
Molecular FormulaC22H34O2S
Molecular Weight362.58 g/mol
Exact Mass362.23
IUPAC Nameethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene
SMILESC=C/C=C\C(\C=C\S(=O)(=O)CC(/C=C\C)=C/C=C)=C/C=C.CC.CC
InChIInChI=1S/C18H22O2S.2C2H6/c1-5-9-13-17(10-6-2)14-15-21(19,20)16-18(11-7-3)12-8-4;2*1-2/h5-15H,1-3,16H2,4H3;2*1-2H3/b12-8-,13-9-,15-14+,17-10+,18-11+;;
InChIKeyPCADXMZUWBJPQV-KAZATKPBSA-N
XLogP6.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene?
The IUPAC name of ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene (CID 142133860) is ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene.
What is the SMILES notation for ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene?
The canonical SMILES for ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene is C=C/C=C\C(\C=C\S(=O)(=O)CC(/C=C\C)=C/C=C)=C/C=C.CC.CC.
What is the InChIKey of ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene?
The InChIKey is PCADXMZUWBJPQV-KAZATKPBSA-N. The full InChI is InChI=1S/C18H22O2S.2C2H6/c1-5-9-13-17(10-6-2)14-15-21(19,20)16-18(11-7-3)12-8-4;2*1-2/h5-15H,1-3,16H2,4H3;2*1-2H3/b12-8-,13-9-,15-14+,17-10+,18-11+;;.
What are the key properties of ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene?
ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene has a molecular weight of 362.58 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene is sourced from PubChem (CID 142133860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).