5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol

C10H18O3S2 — CID 139785176

IUPAC5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol
SMILESC=CC(O)CCSOSCCC(O)C=C
InChIInChI=1S/C10H18O3S2/c1-3-9(11)5-7-14-13-15-8-6-10(12)4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyJWBUAFQXSJMXJZ-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.17
Rot. Bonds10

About 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol

5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol (PubChem CID 139785176) has the molecular formula C10H18O3S2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol.

Molecular Properties

Compound Name5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol
PubChem CID139785176
Molecular FormulaC10H18O3S2
Molecular Weight250.38 g/mol
Exact Mass250.07
IUPAC Name5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol
SMILESC=CC(O)CCSOSCCC(O)C=C
InChIInChI=1S/C10H18O3S2/c1-3-9(11)5-7-14-13-15-8-6-10(12)4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyJWBUAFQXSJMXJZ-UHFFFAOYSA-N
XLogP2.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol?
The IUPAC name of 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol (CID 139785176) is 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol.
What is the SMILES notation for 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol?
The canonical SMILES for 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol is C=CC(O)CCSOSCCC(O)C=C.
What is the InChIKey of 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol?
The InChIKey is JWBUAFQXSJMXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S2/c1-3-9(11)5-7-14-13-15-8-6-10(12)4-2/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol?
5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol has a molecular weight of 250.38 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypent-4-enylsulfanyloxysulfanyl)pent-1-en-3-ol is sourced from PubChem (CID 139785176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).