1-hex-3-en-3-ylsulfanylethanol

C8H16OS — CID 123820341

IUPAC1-hex-3-en-3-ylsulfanylethanol
SMILESCCC=C(CC)SC(C)O
InChIInChI=1S/C8H16OS/c1-4-6-8(5-2)10-7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyGDLDIZIKWHJEJX-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.76
Rot. Bonds4

About 1-hex-3-en-3-ylsulfanylethanol

1-hex-3-en-3-ylsulfanylethanol (PubChem CID 123820341) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-hex-3-en-3-ylsulfanylethanol.

Molecular Properties

Compound Name1-hex-3-en-3-ylsulfanylethanol
PubChem CID123820341
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-hex-3-en-3-ylsulfanylethanol
SMILESCCC=C(CC)SC(C)O
InChIInChI=1S/C8H16OS/c1-4-6-8(5-2)10-7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyGDLDIZIKWHJEJX-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hex-3-en-3-ylsulfanylethanol?
The IUPAC name of 1-hex-3-en-3-ylsulfanylethanol (CID 123820341) is 1-hex-3-en-3-ylsulfanylethanol.
What is the SMILES notation for 1-hex-3-en-3-ylsulfanylethanol?
The canonical SMILES for 1-hex-3-en-3-ylsulfanylethanol is CCC=C(CC)SC(C)O.
What is the InChIKey of 1-hex-3-en-3-ylsulfanylethanol?
The InChIKey is GDLDIZIKWHJEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-6-8(5-2)10-7(3)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-hex-3-en-3-ylsulfanylethanol?
1-hex-3-en-3-ylsulfanylethanol has a molecular weight of 160.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-en-3-ylsulfanylethanol is sourced from PubChem (CID 123820341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).