2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium

C11H21OS+ — CID 142911511

IUPAC2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium
SMILESCCO[S+](C)CCC1CC=CCC1
InChIInChI=1S/C11H21OS/c1-3-12-13(2)10-9-11-7-5-4-6-8-11/h4-5,11H,3,6-10H2,1-2H3/q+1
InChIKeyQZTQCMQFTWSYPL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.93
Rot. Bonds5

About 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium

2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium (PubChem CID 142911511) has the molecular formula C11H21OS+ and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium
PubChem CID142911511
Molecular FormulaC11H21OS+
Molecular Weight201.35 g/mol
Exact Mass201.13
IUPAC Name2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium
SMILESCCO[S+](C)CCC1CC=CCC1
InChIInChI=1S/C11H21OS/c1-3-12-13(2)10-9-11-7-5-4-6-8-11/h4-5,11H,3,6-10H2,1-2H3/q+1
InChIKeyQZTQCMQFTWSYPL-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-methylnon-6-enyl]sulfanylethanol
CID 59324361
2-(3-Methylnon-6-enylsulfanyl)ethanol
CID 72255942
4-Methyl-3-methylsulfinylcyclohexene
CID 118892382
1-Ethoxy-2,3,4-trimethyl-1lambda4-thiacyclohepta-5,7-diene
CID 123980832
4-Ethoxysulfanyl-6-methylbicyclo[3.1.0]hex-2-ene
CID 134214463
2-Bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-lambda4-sulfane
CID 145052178
[(Z)-4-ethenylhept-5-enyl]-ethoxy-methoxy-methyl-lambda4-sulfane
CID 163276405
4-(2-Methylsulfanylethyl)cyclohexene
CID 164029256
3-Methyl-5-(2-methylsulfanylethyl)cyclohexene
CID 167071708
(Z)-5-methyl-6-[(R)-methylsulfinyl]oct-2-ene
CID 173709672
S-(2-cyclohex-3-en-1-ylethyl) ethanethioate
CID 236023
S-[2-[(1S)-cyclohex-3-en-1-yl]ethyl] ethanethioate
CID 92234012

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium?
The IUPAC name of 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium (CID 142911511) is 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium.
What is the SMILES notation for 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium?
The canonical SMILES for 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium is CCO[S+](C)CCC1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium?
The InChIKey is QZTQCMQFTWSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OS/c1-3-12-13(2)10-9-11-7-5-4-6-8-11/h4-5,11H,3,6-10H2,1-2H3/q+1.
What are the key properties of 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium?
2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium has a molecular weight of 201.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium is sourced from PubChem (CID 142911511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).