2-hex-5-enylsulfanylethanol

C8H16OS — CID 3019034

IUPAC2-hex-5-enylsulfanylethanol
SMILESC=CCCCCSCCO
InChIInChI=1S/C8H16OS/c1-2-3-4-5-7-10-8-6-9/h2,9H,1,3-8H2
InChIKeyQLRYIIWLWDKURG-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds7

About 2-hex-5-enylsulfanylethanol

2-hex-5-enylsulfanylethanol (PubChem CID 3019034) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-hex-5-enylsulfanylethanol.

Molecular Properties

Compound Name2-hex-5-enylsulfanylethanol
PubChem CID3019034
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-hex-5-enylsulfanylethanol
SMILESC=CCCCCSCCO
InChIInChI=1S/C8H16OS/c1-2-3-4-5-7-10-8-6-9/h2,9H,1,3-8H2
InChIKeyQLRYIIWLWDKURG-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
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-hex-5-enylsulfanylethanol?
The IUPAC name of 2-hex-5-enylsulfanylethanol (CID 3019034) is 2-hex-5-enylsulfanylethanol.
What is the SMILES notation for 2-hex-5-enylsulfanylethanol?
The canonical SMILES for 2-hex-5-enylsulfanylethanol is C=CCCCCSCCO.
What is the InChIKey of 2-hex-5-enylsulfanylethanol?
The InChIKey is QLRYIIWLWDKURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-3-4-5-7-10-8-6-9/h2,9H,1,3-8H2.
What are the key properties of 2-hex-5-enylsulfanylethanol?
2-hex-5-enylsulfanylethanol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enylsulfanylethanol is sourced from PubChem (CID 3019034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).