2-cyclohex-2-en-1-ylsulfanylethanol

C8H14OS — CID 114620524

IUPAC2-cyclohex-2-en-1-ylsulfanylethanol
SMILESOCCSC1C=CCCC1
InChIInChI=1S/C8H14OS/c9-6-7-10-8-4-2-1-3-5-8/h2,4,8-9H,1,3,5-7H2
InChIKeyGCWQNEULSLLDKO-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds3

About 2-cyclohex-2-en-1-ylsulfanylethanol

2-cyclohex-2-en-1-ylsulfanylethanol (PubChem CID 114620524) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylsulfanylethanol.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylsulfanylethanol
PubChem CID114620524
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-cyclohex-2-en-1-ylsulfanylethanol
SMILESOCCSC1C=CCCC1
InChIInChI=1S/C8H14OS/c9-6-7-10-8-4-2-1-3-5-8/h2,4,8-9H,1,3,5-7H2
InChIKeyGCWQNEULSLLDKO-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylsulfanylethanol?
The IUPAC name of 2-cyclohex-2-en-1-ylsulfanylethanol (CID 114620524) is 2-cyclohex-2-en-1-ylsulfanylethanol.
What is the SMILES notation for 2-cyclohex-2-en-1-ylsulfanylethanol?
The canonical SMILES for 2-cyclohex-2-en-1-ylsulfanylethanol is OCCSC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylsulfanylethanol?
The InChIKey is GCWQNEULSLLDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-6-7-10-8-4-2-1-3-5-8/h2,4,8-9H,1,3,5-7H2.
What are the key properties of 2-cyclohex-2-en-1-ylsulfanylethanol?
2-cyclohex-2-en-1-ylsulfanylethanol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylsulfanylethanol is sourced from PubChem (CID 114620524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).