2-[(1R)-2-methylidenecyclooctyl]ethanethiol

C11H20S — CID 89289108

IUPAC2-[(1R)-2-methylidenecyclooctyl]ethanethiol
SMILESC=C1CCCCCC[C@@H]1CCS
InChIInChI=1S/C11H20S/c1-10-6-4-2-3-5-7-11(10)8-9-12/h11-12H,1-9H2/t11-/m1/s1
InChIKeyOEZPDVKMYGLXHZ-LLVKDONJSA-N
MW184.35 g/mol
LogP3.83
Rot. Bonds2

About 2-[(1R)-2-methylidenecyclooctyl]ethanethiol

2-[(1R)-2-methylidenecyclooctyl]ethanethiol (PubChem CID 89289108) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-[(1R)-2-methylidenecyclooctyl]ethanethiol.

Molecular Properties

Compound Name2-[(1R)-2-methylidenecyclooctyl]ethanethiol
PubChem CID89289108
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2-[(1R)-2-methylidenecyclooctyl]ethanethiol
SMILESC=C1CCCCCC[C@@H]1CCS
InChIInChI=1S/C11H20S/c1-10-6-4-2-3-5-7-11(10)8-9-12/h11-12H,1-9H2/t11-/m1/s1
InChIKeyOEZPDVKMYGLXHZ-LLVKDONJSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[(1R)-2-methylidenecyclooctyl]ethanethiol?
The IUPAC name of 2-[(1R)-2-methylidenecyclooctyl]ethanethiol (CID 89289108) is 2-[(1R)-2-methylidenecyclooctyl]ethanethiol.
What is the SMILES notation for 2-[(1R)-2-methylidenecyclooctyl]ethanethiol?
The canonical SMILES for 2-[(1R)-2-methylidenecyclooctyl]ethanethiol is C=C1CCCCCC[C@@H]1CCS.
What is the InChIKey of 2-[(1R)-2-methylidenecyclooctyl]ethanethiol?
The InChIKey is OEZPDVKMYGLXHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20S/c1-10-6-4-2-3-5-7-11(10)8-9-12/h11-12H,1-9H2/t11-/m1/s1.
What are the key properties of 2-[(1R)-2-methylidenecyclooctyl]ethanethiol?
2-[(1R)-2-methylidenecyclooctyl]ethanethiol has a molecular weight of 184.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methylidenecyclooctyl]ethanethiol is sourced from PubChem (CID 89289108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).