1-ethenyl-1-(methylsulfanylmethyl)cyclooctane

C12H22S — CID 123995657

IUPAC1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
SMILESC=CC1(CSC)CCCCCCC1
InChIInChI=1S/C12H22S/c1-3-12(11-13-2)9-7-5-4-6-8-10-12/h3H,1,4-11H2,2H3
InChIKeyLFSCAAXVDLVPRN-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.27
Rot. Bonds3

About 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane

1-ethenyl-1-(methylsulfanylmethyl)cyclooctane (PubChem CID 123995657) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane.

Molecular Properties

Compound Name1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
PubChem CID123995657
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
SMILESC=CC1(CSC)CCCCCCC1
InChIInChI=1S/C12H22S/c1-3-12(11-13-2)9-7-5-4-6-8-10-12/h3H,1,4-11H2,2H3
InChIKeyLFSCAAXVDLVPRN-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane 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

1-butyl-1-ethenylcyclohexane
CID 158478687
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
CID 90888982
2-(1-ethenylcyclopentyl)acetic acid
CID 19822506
2-methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
1-ethenyl-1-(1-ethenylcyclohexyl)cyclohexane
CID 56992282
1,1-diethylcyclohexane;ethane
CID 142116480
2-ethenyl-2-propylazepane
CID 79116609
cyclobutane;ethane;prop-1-ene
CID 142065281
1-(1-ethenylcyclopropyl)-N-methylmethanamine
CID 121207399
1-(bromomethyl)-1-methylcycloheptane
CID 131000310
cyclopropane;ethane;ethenamine;propane
CID 165407698
N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine
CID 90131320

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane?
The IUPAC name of 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane (CID 123995657) is 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane.
What is the SMILES notation for 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane?
The canonical SMILES for 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane is C=CC1(CSC)CCCCCCC1.
What is the InChIKey of 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane?
The InChIKey is LFSCAAXVDLVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-3-12(11-13-2)9-7-5-4-6-8-10-12/h3H,1,4-11H2,2H3.
What are the key properties of 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane?
1-ethenyl-1-(methylsulfanylmethyl)cyclooctane has a molecular weight of 198.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-(methylsulfanylmethyl)cyclooctane is sourced from PubChem (CID 123995657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).