5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene

C10H14S2 — CID 57011287

IUPAC5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene
SMILESC=CC=CCSSCC=CC=C
InChIInChI=1S/C10H14S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H,1-2,9-10H2
InChIKeyNWPAWRROPZCBGU-UHFFFAOYSA-N
MW198.36 g/mol
LogP3.85
Rot. Bonds7

About 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene

5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene (PubChem CID 57011287) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene.

Molecular Properties

Compound Name5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene
PubChem CID57011287
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene
SMILESC=CC=CCSSCC=CC=C
InChIInChI=1S/C10H14S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H,1-2,9-10H2
InChIKeyNWPAWRROPZCBGU-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene?
The IUPAC name of 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene (CID 57011287) is 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene.
What is the SMILES notation for 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene?
The canonical SMILES for 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene is C=CC=CCSSCC=CC=C.
What is the InChIKey of 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene?
The InChIKey is NWPAWRROPZCBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H,1-2,9-10H2.
What are the key properties of 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene?
5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene has a molecular weight of 198.36 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(penta-2,4-dienyldisulfanyl)penta-1,3-diene is sourced from PubChem (CID 57011287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).