1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol

C11H18OS — CID 5369084

IUPAC1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
SMILESCS/C=C(\C)CC1(O)C=CCCC1
InChIInChI=1S/C11H18OS/c1-10(9-13-2)8-11(12)6-4-3-5-7-11/h4,6,9,12H,3,5,7-8H2,1-2H3/b10-9+
InChIKeyIFXHKNKBGMLXEH-MDZDMXLPSA-N
MW198.33 g/mol
LogP3.11
Rot. Bonds3

About 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol

1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol (PubChem CID 5369084) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
PubChem CID5369084
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
SMILESCS/C=C(\C)CC1(O)C=CCCC1
InChIInChI=1S/C11H18OS/c1-10(9-13-2)8-11(12)6-4-3-5-7-11/h4,6,9,12H,3,5,7-8H2,1-2H3/b10-9+
InChIKeyIFXHKNKBGMLXEH-MDZDMXLPSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.11
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 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol (CID 5369084) is 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol is CS/C=C(\C)CC1(O)C=CCCC1.
What is the InChIKey of 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is IFXHKNKBGMLXEH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18OS/c1-10(9-13-2)8-11(12)6-4-3-5-7-11/h4,6,9,12H,3,5,7-8H2,1-2H3/b10-9+.
What are the key properties of 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 198.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 5369084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).