(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene

C13H20S — CID 88673509

IUPAC(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene
SMILESC=C/C=C(SCC)/C(C)=C/C=C(C)C
InChIInChI=1S/C13H20S/c1-6-8-13(14-7-2)12(5)10-9-11(3)4/h6,8-10H,1,7H2,2-5H3/b12-10+,13-8-
InChIKeyMXTMNPCOJFYSGE-BYNAHLDYSA-N
MW208.37 g/mol
LogP4.72
Rot. Bonds5

About (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene

(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene (PubChem CID 88673509) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene
PubChem CID88673509
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene
SMILESC=C/C=C(SCC)/C(C)=C/C=C(C)C
InChIInChI=1S/C13H20S/c1-6-8-13(14-7-2)12(5)10-9-11(3)4/h6,8-10H,1,7H2,2-5H3/b12-10+,13-8-
InChIKeyMXTMNPCOJFYSGE-BYNAHLDYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene?
The IUPAC name of (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene (CID 88673509) is (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene is C=C/C=C(SCC)/C(C)=C/C=C(C)C.
What is the InChIKey of (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene?
The InChIKey is MXTMNPCOJFYSGE-BYNAHLDYSA-N. The full InChI is InChI=1S/C13H20S/c1-6-8-13(14-7-2)12(5)10-9-11(3)4/h6,8-10H,1,7H2,2-5H3/b12-10+,13-8-.
What are the key properties of (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene?
(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene has a molecular weight of 208.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene is sourced from PubChem (CID 88673509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).