2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane

C11H20OS — CID 145052178

IUPAC2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane
SMILESCCOS(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C11H20OS/c1-4-12-13(2,3)11-8-9-5-6-10(11)7-9/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyTUYHEISGTADXFT-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.97
Rot. Bonds3

About 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane

2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane (PubChem CID 145052178) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane
PubChem CID145052178
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane
SMILESCCOS(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C11H20OS/c1-4-12-13(2,3)11-8-9-5-6-10(11)7-9/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyTUYHEISGTADXFT-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.97
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

5-(Butylthio)-2-norbornene
CID 129809750
S-(2-bicyclo[2.2.1]hept-5-enyl) ethanethioate
CID 58330549
5-Methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 67388504
Ethyl bicyclo[2.2.1]hept-5-ene-2-sulfinate
CID 89339656
2-Bicyclo[2.2.1]hept-5-enyl(trimethyl)-lambda4-sulfane
CID 126669398
2-Bicyclo[2.2.1]hept-5-enyl(triethyl)-lambda4-sulfane
CID 135209846
2-Cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium
CID 142911511
2-Bicyclo[2.2.1]hept-5-enyl(trimethyl)-lambda4-sulfane;ethane
CID 143703726
2-Bicyclo[2.2.1]hept-5-enyl-dimethyl-propan-2-yl-lambda4-sulfane
CID 156571532
2-Bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium
CID 163582005
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-methylsulfanylmethanone
CID 10420343
(1S,4S,5R)-5-[(S)-ethylsulfinyl]bicyclo[2.2.1]hept-2-ene
CID 10654737

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane (CID 145052178) is 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane is CCOS(C)(C)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane?
The InChIKey is TUYHEISGTADXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-12-13(2,3)11-8-9-5-6-10(11)7-9/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane?
2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane has a molecular weight of 200.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethyl-λ4-sulfane is sourced from PubChem (CID 145052178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).