7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene

C16H26S — CID 154245049

IUPAC7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene
SMILESC=CC=CCCC(C)SC(C)CCC=CC=C
InChIInChI=1S/C16H26S/c1-5-7-9-11-13-15(3)17-16(4)14-12-10-8-6-2/h5-10,15-16H,1-2,11-14H2,3-4H3
InChIKeyGGDAUFOMIYNSOJ-UHFFFAOYSA-N
MW250.45 g/mol
LogP5.54
Rot. Bonds10

About 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene

7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene (PubChem CID 154245049) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene.

Molecular Properties

Compound Name7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene
PubChem CID154245049
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Name7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene
SMILESC=CC=CCCC(C)SC(C)CCC=CC=C
InChIInChI=1S/C16H26S/c1-5-7-9-11-13-15(3)17-16(4)14-12-10-8-6-2/h5-10,15-16H,1-2,11-14H2,3-4H3
InChIKeyGGDAUFOMIYNSOJ-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 55.54
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 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene?
The IUPAC name of 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene (CID 154245049) is 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene.
What is the SMILES notation for 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene?
The canonical SMILES for 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene is C=CC=CCCC(C)SC(C)CCC=CC=C.
What is the InChIKey of 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene?
The InChIKey is GGDAUFOMIYNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26S/c1-5-7-9-11-13-15(3)17-16(4)14-12-10-8-6-2/h5-10,15-16H,1-2,11-14H2,3-4H3.
What are the key properties of 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene?
7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene has a molecular weight of 250.45 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene is sourced from PubChem (CID 154245049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).