(3Z,5E)-6-propylsulfanylhepta-1,3,5-triene

C10H16S — CID 87995638

IUPAC(3Z,5E)-6-propylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C\C=C(/C)SCCC
InChIInChI=1S/C10H16S/c1-4-6-7-8-10(3)11-9-5-2/h4,6-8H,1,5,9H2,2-3H3/b7-6-,10-8+
InChIKeyIVMYUBFTACNPTM-VAAURPRASA-N
MW168.30 g/mol
LogP3.78
Rot. Bonds5

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

(3Z,5E)-6-propylsulfanylhepta-1,3,5-triene (PubChem CID 87995638) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6-propylsulfanylhepta-1,3,5-triene
PubChem CID87995638
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name(3Z,5E)-6-propylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C\C=C(/C)SCCC
InChIInChI=1S/C10H16S/c1-4-6-7-8-10(3)11-9-5-2/h4,6-8H,1,5,9H2,2-3H3/b7-6-,10-8+
InChIKeyIVMYUBFTACNPTM-VAAURPRASA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.78
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-propylsulfanylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene (CID 87995638) is (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene is C=C/C=C\C=C(/C)SCCC.
What is the InChIKey of (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene?
The InChIKey is IVMYUBFTACNPTM-VAAURPRASA-N. The full InChI is InChI=1S/C10H16S/c1-4-6-7-8-10(3)11-9-5-2/h4,6-8H,1,5,9H2,2-3H3/b7-6-,10-8+.
What are the key properties of (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene?
(3Z,5E)-6-propylsulfanylhepta-1,3,5-triene has a molecular weight of 168.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-propylsulfanylhepta-1,3,5-triene is sourced from PubChem (CID 87995638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).