1-ethyl-2-(1-methylsulfanylethyl)cyclohexene

C11H20S — CID 170090653

IUPAC1-ethyl-2-(1-methylsulfanylethyl)cyclohexene
SMILESCCC1=C(C(C)SC)CCCC1
InChIInChI=1S/C11H20S/c1-4-10-7-5-6-8-11(10)9(2)12-3/h9H,4-8H2,1-3H3
InChIKeyYEMYBGOELDBMOK-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.02
Rot. Bonds3

About 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene

1-ethyl-2-(1-methylsulfanylethyl)cyclohexene (PubChem CID 170090653) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene.

Molecular Properties

Compound Name1-ethyl-2-(1-methylsulfanylethyl)cyclohexene
PubChem CID170090653
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-ethyl-2-(1-methylsulfanylethyl)cyclohexene
SMILESCCC1=C(C(C)SC)CCCC1
InChIInChI=1S/C11H20S/c1-4-10-7-5-6-8-11(10)9(2)12-3/h9H,4-8H2,1-3H3
InChIKeyYEMYBGOELDBMOK-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium
CID 101198030
1-butyl-2-ethylcyclopentene
CID 154086983
(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
1,2-dihexylcyclohexene
CID 19795043
tris(2-ethylcyclohexen-1-yl)alumane
CID 19087387
1,2-bis(2-methylpropyl)cyclohexene
CID 163419117
[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
(2-propan-2-ylcyclopenten-1-yl)methanethiol
CID 130248159
5-ethyl-1-methyl-6-propan-2-yl-3,4-dihydro-2H-pyridine
CID 167519513
3-ethyl-2-propan-2-ylcyclopent-2-en-1-one
CID 89316357
trimethyl-(2-propylcyclopenten-1-yl)phosphanium
CID 91481874
5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 172585884

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene?
The IUPAC name of 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene (CID 170090653) is 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene.
What is the SMILES notation for 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene?
The canonical SMILES for 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene is CCC1=C(C(C)SC)CCCC1.
What is the InChIKey of 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene?
The InChIKey is YEMYBGOELDBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-4-10-7-5-6-8-11(10)9(2)12-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene?
1-ethyl-2-(1-methylsulfanylethyl)cyclohexene has a molecular weight of 184.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1-methylsulfanylethyl)cyclohexene is sourced from PubChem (CID 170090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).