6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene

C10H16OS — CID 559168

IUPAC6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene
SMILESCCOC1CCC2C=CCC1S2
InChIInChI=1S/C10H16OS/c1-2-11-9-7-6-8-4-3-5-10(9)12-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyHETIXXDDWOEVAI-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.62
Rot. Bonds2

About 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene

6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene (PubChem CID 559168) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene
PubChem CID559168
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene
SMILESCCOC1CCC2C=CCC1S2
InChIInChI=1S/C10H16OS/c1-2-11-9-7-6-8-4-3-5-10(9)12-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyHETIXXDDWOEVAI-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Thiabicyclo[3.3.1]non-6-en-2-ol
CID 296638
Di(9-thiabicyclo[3.3.1]non-6-en-2-yl) ether
CID 23851969
9-Thiabicyclo[3.3.1]non-2-ene, 6-methoxy-9,9-dioxide
CID 556740
6-Methoxy-9-thia-bicyclo[3.3.1]non-2-ene
CID 566352
9-Thiabicyclo[3.3.1]non-6-en-2-yl acetate
CID 13598697
2-(4-Non-2-enylsulfanylbutyl)oxane
CID 70456003
4-Cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane
CID 70546085
(1R,2S,5R)-9-thiabicyclo[3.3.1]non-6-en-2-ol
CID 1201024
(1R,2R,5R)-9-thiabicyclo[3.3.1]non-6-en-2-ol
CID 92212795
(1S,2S,5R)-9-thiabicyclo[3.3.1]non-6-en-2-ol
CID 98523810
(1S,2R,5R)-9-thiabicyclo[3.3.1]non-6-en-2-ol
CID 98523812
4-Cyclohex-2-en-1-ylsulfanyloxane
CID 127661701

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene?
The IUPAC name of 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene (CID 559168) is 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene is CCOC1CCC2C=CCC1S2.
What is the InChIKey of 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene?
The InChIKey is HETIXXDDWOEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-11-9-7-6-8-4-3-5-10(9)12-8/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene?
6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene has a molecular weight of 184.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-9-thiabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 559168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).