5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol

C16H30O2S — CID 88598651

IUPAC5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol
SMILESC=CCC(CCCCO)SC(CC=C)CCCCO
InChIInChI=1S/C16H30O2S/c1-3-9-15(11-5-7-13-17)19-16(10-4-2)12-6-8-14-18/h3-4,15-18H,1-2,5-14H2
InChIKeyQSLUFAIVTQYEMS-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.93
Rot. Bonds14

About 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol

5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol (PubChem CID 88598651) has the molecular formula C16H30O2S and a molecular weight of 286.48 g/mol. Its IUPAC name is 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol.

Molecular Properties

Compound Name5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol
PubChem CID88598651
Molecular FormulaC16H30O2S
Molecular Weight286.48 g/mol
Exact Mass286.20
IUPAC Name5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol
SMILESC=CCC(CCCCO)SC(CC=C)CCCCO
InChIInChI=1S/C16H30O2S/c1-3-9-15(11-5-7-13-17)19-16(10-4-2)12-6-8-14-18/h3-4,15-18H,1-2,5-14H2
InChIKeyQSLUFAIVTQYEMS-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol?
The IUPAC name of 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol (CID 88598651) is 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol.
What is the SMILES notation for 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol?
The canonical SMILES for 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol is C=CCC(CCCCO)SC(CC=C)CCCCO.
What is the InChIKey of 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol?
The InChIKey is QSLUFAIVTQYEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S/c1-3-9-15(11-5-7-13-17)19-16(10-4-2)12-6-8-14-18/h3-4,15-18H,1-2,5-14H2.
What are the key properties of 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol?
5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol has a molecular weight of 286.48 g/mol, XLogP of 3.93, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-hydroxyoct-1-en-4-ylsulfanyl)oct-7-en-1-ol is sourced from PubChem (CID 88598651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).