2-octa-2,6-dienylsulfanylethanol

C10H18OS — CID 3023713

IUPAC2-octa-2,6-dienylsulfanylethanol
SMILESCC=CCCC=CCSCCO
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyFEAIFWLZCMLWTH-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.62
Rot. Bonds7

About 2-octa-2,6-dienylsulfanylethanol

2-octa-2,6-dienylsulfanylethanol (PubChem CID 3023713) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-octa-2,6-dienylsulfanylethanol.

Molecular Properties

Compound Name2-octa-2,6-dienylsulfanylethanol
PubChem CID3023713
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-octa-2,6-dienylsulfanylethanol
SMILESCC=CCCC=CCSCCO
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyFEAIFWLZCMLWTH-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-octa-2,6-dienylsulfanylethanol?
The IUPAC name of 2-octa-2,6-dienylsulfanylethanol (CID 3023713) is 2-octa-2,6-dienylsulfanylethanol.
What is the SMILES notation for 2-octa-2,6-dienylsulfanylethanol?
The canonical SMILES for 2-octa-2,6-dienylsulfanylethanol is CC=CCCC=CCSCCO.
What is the InChIKey of 2-octa-2,6-dienylsulfanylethanol?
The InChIKey is FEAIFWLZCMLWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 2-octa-2,6-dienylsulfanylethanol?
2-octa-2,6-dienylsulfanylethanol has a molecular weight of 186.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octa-2,6-dienylsulfanylethanol is sourced from PubChem (CID 3023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).