5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene

C17H24S — CID 89263798

IUPAC5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene
SMILESC=CC(C/C=C(\C)C(C)C)C1=CC(=C)C(C=C)S1
InChIInChI=1S/C17H24S/c1-7-15(10-9-13(5)12(3)4)17-11-14(6)16(8-2)18-17/h7-9,11-12,15-16H,1-2,6,10H2,3-5H3/b13-9+
InChIKeyBOFANNNMAXTCBB-UKTHLTGXSA-N
MW260.45 g/mol
LogP5.52
Rot. Bonds6

About 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene

5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene (PubChem CID 89263798) has the molecular formula C17H24S and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene.

Molecular Properties

Compound Name5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene
PubChem CID89263798
Molecular FormulaC17H24S
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene
SMILESC=CC(C/C=C(\C)C(C)C)C1=CC(=C)C(C=C)S1
InChIInChI=1S/C17H24S/c1-7-15(10-9-13(5)12(3)4)17-11-14(6)16(8-2)18-17/h7-9,11-12,15-16H,1-2,6,10H2,3-5H3/b13-9+
InChIKeyBOFANNNMAXTCBB-UKTHLTGXSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene?
The IUPAC name of 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene (CID 89263798) is 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene.
What is the SMILES notation for 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene?
The canonical SMILES for 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene is C=CC(C/C=C(\C)C(C)C)C1=CC(=C)C(C=C)S1.
What is the InChIKey of 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene?
The InChIKey is BOFANNNMAXTCBB-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H24S/c1-7-15(10-9-13(5)12(3)4)17-11-14(6)16(8-2)18-17/h7-9,11-12,15-16H,1-2,6,10H2,3-5H3/b13-9+.
What are the key properties of 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene?
5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene has a molecular weight of 260.45 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene is sourced from PubChem (CID 89263798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).