cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol

C12H16OS — CID 65100027

IUPACcyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2CC=CCC2)cs1
InChIInChI=1S/C12H16OS/c1-9-7-11(8-14-9)12(13)10-5-3-2-4-6-10/h2-3,7-8,10,12-13H,4-6H2,1H3
InChIKeyVEJGDZRMEUKKIZ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.45
Rot. Bonds2

About cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol

cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol (PubChem CID 65100027) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
PubChem CID65100027
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namecyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2CC=CCC2)cs1
InChIInChI=1S/C12H16OS/c1-9-7-11(8-14-9)12(13)10-5-3-2-4-6-10/h2-3,7-8,10,12-13H,4-6H2,1H3
InChIKeyVEJGDZRMEUKKIZ-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.45
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 cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol (CID 65100027) is cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)C2CC=CCC2)cs1.
What is the InChIKey of cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol?
The InChIKey is VEJGDZRMEUKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9-7-11(8-14-9)12(13)10-5-3-2-4-6-10/h2-3,7-8,10,12-13H,4-6H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol?
cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol has a molecular weight of 208.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65100027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).