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

C11H18S — CID 88559418

IUPAC(3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C\C(SCCC)=C(C)C
InChIInChI=1S/C11H18S/c1-5-7-8-11(10(3)4)12-9-6-2/h5,7-8H,1,6,9H2,2-4H3/b8-7-
InChIKeyFYKZUPNUZURXAW-FPLPWBNLSA-N
MW182.33 g/mol
LogP4.17
Rot. Bonds5

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

(3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene (PubChem CID 88559418) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene
PubChem CID88559418
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C\C(SCCC)=C(C)C
InChIInChI=1S/C11H18S/c1-5-7-8-11(10(3)4)12-9-6-2/h5,7-8H,1,6,9H2,2-4H3/b8-7-
InChIKeyFYKZUPNUZURXAW-FPLPWBNLSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.17
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)-6-methyl-5-propylsulfanylhepta-1,3,5-triene?
The IUPAC name of (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene (CID 88559418) is (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene is C=C/C=C\C(SCCC)=C(C)C.
What is the InChIKey of (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene?
The InChIKey is FYKZUPNUZURXAW-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18S/c1-5-7-8-11(10(3)4)12-9-6-2/h5,7-8H,1,6,9H2,2-4H3/b8-7-.
What are the key properties of (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene?
(3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene has a molecular weight of 182.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-5-propylsulfanylhepta-1,3,5-triene is sourced from PubChem (CID 88559418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).