(3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene

C10H14S — CID 89197605

IUPAC(3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C(/C)SC=C
InChIInChI=1S/C10H14S/c1-5-7-8-9(3)10(4)11-6-2/h5-8H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyYCHQCDPXHKMQHQ-UQGDGPGGSA-N
MW166.29 g/mol
LogP3.90
Rot. Bonds4

About (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene

(3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene (PubChem CID 89197605) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene
PubChem CID89197605
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name(3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C(/C)SC=C
InChIInChI=1S/C10H14S/c1-5-7-8-9(3)10(4)11-6-2/h5-8H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyYCHQCDPXHKMQHQ-UQGDGPGGSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.90
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)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene (CID 89197605) is (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene is C=C/C=C\C(C)=C(/C)SC=C.
What is the InChIKey of (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene?
The InChIKey is YCHQCDPXHKMQHQ-UQGDGPGGSA-N. The full InChI is InChI=1S/C10H14S/c1-5-7-8-9(3)10(4)11-6-2/h5-8H,1-2H2,3-4H3/b8-7-,10-9+.
What are the key properties of (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene?
(3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene has a molecular weight of 166.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-ethenylsulfanyl-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 89197605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).