2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol

C17H28OS — CID 45107194

IUPAC2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol
SMILESC=CC1(C)CCC(C(=C)CSCCO)CC1C(=C)C
InChIInChI=1S/C17H28OS/c1-6-17(5)8-7-15(11-16(17)13(2)3)14(4)12-19-10-9-18/h6,15-16,18H,1-2,4,7-12H2,3,5H3
InChIKeyGVYWVQBQBSXVIA-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.45
Rot. Bonds7

About 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol

2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol (PubChem CID 45107194) has the molecular formula C17H28OS and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol
PubChem CID45107194
Molecular FormulaC17H28OS
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol
SMILESC=CC1(C)CCC(C(=C)CSCCO)CC1C(=C)C
InChIInChI=1S/C17H28OS/c1-6-17(5)8-7-15(11-16(17)13(2)3)14(4)12-19-10-9-18/h6,15-16,18H,1-2,4,7-12H2,3,5H3
InChIKeyGVYWVQBQBSXVIA-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,6,6-Trimethylcyclohex-2-en-1-yl)butan-2-ylsulfanyl]ethanol
CID 90950241
2-[4-(2,6,6-Trimethylcyclohex-3-en-1-yl)butan-2-ylsulfanyl]ethanol
CID 91458069

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol?
The IUPAC name of 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol (CID 45107194) is 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol is C=CC1(C)CCC(C(=C)CSCCO)CC1C(=C)C.
What is the InChIKey of 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol?
The InChIKey is GVYWVQBQBSXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OS/c1-6-17(5)8-7-15(11-16(17)13(2)3)14(4)12-19-10-9-18/h6,15-16,18H,1-2,4,7-12H2,3,5H3.
What are the key properties of 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol?
2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol has a molecular weight of 280.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enylsulfanyl]ethanol is sourced from PubChem (CID 45107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).