3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol

C10H18OS — CID 129151669

IUPAC3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol
SMILESCCC1=CC(O)C(C)C(C)C1S
InChIInChI=1S/C10H18OS/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5-7,9-12H,4H2,1-3H3
InChIKeyVSALISJUBBQCHZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.27
Rot. Bonds1

About 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol

3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol (PubChem CID 129151669) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol
PubChem CID129151669
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol
SMILESCCC1=CC(O)C(C)C(C)C1S
InChIInChI=1S/C10H18OS/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5-7,9-12H,4H2,1-3H3
InChIKeyVSALISJUBBQCHZ-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol?
The IUPAC name of 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol (CID 129151669) is 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol?
The canonical SMILES for 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol is CCC1=CC(O)C(C)C(C)C1S.
What is the InChIKey of 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol?
The InChIKey is VSALISJUBBQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5-7,9-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol?
3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol is sourced from PubChem (CID 129151669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).