2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol

C10H18OS — CID 6366458

IUPAC2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol
SMILESC/C=C/CC/C=C/CSCCO
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/b3-2+,7-6+
InChIKeyFEAIFWLZCMLWTH-BLWKUPHCSA-N
MW186.32 g/mol
LogP2.62
Rot. Bonds7

About 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol

2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol (PubChem CID 6366458) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol.

Molecular Properties

Compound Name2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol
PubChem CID6366458
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol
SMILESC/C=C/CC/C=C/CSCCO
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/b3-2+,7-6+
InChIKeyFEAIFWLZCMLWTH-BLWKUPHCSA-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-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol?
The IUPAC name of 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol (CID 6366458) is 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol.
What is the SMILES notation for 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol?
The canonical SMILES for 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol is C/C=C/CC/C=C/CSCCO.
What is the InChIKey of 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol?
The InChIKey is FEAIFWLZCMLWTH-BLWKUPHCSA-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/b3-2+,7-6+.
What are the key properties of 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol?
2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol 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-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol is sourced from PubChem (CID 6366458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).