2-(cyclohexyloxymethyl)-2,3-dihydrothiophene

C11H18OS — CID 91249774

IUPAC2-(cyclohexyloxymethyl)-2,3-dihydrothiophene
SMILESC1=CSC(COC2CCCCC2)C1
InChIInChI=1S/C11H18OS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,8,10-11H,1-3,5-7,9H2
InChIKeyJHUCYNHKZWUHRZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.35
Rot. Bonds3

About 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene

2-(cyclohexyloxymethyl)-2,3-dihydrothiophene (PubChem CID 91249774) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(cyclohexyloxymethyl)-2,3-dihydrothiophene
PubChem CID91249774
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(cyclohexyloxymethyl)-2,3-dihydrothiophene
SMILESC1=CSC(COC2CCCCC2)C1
InChIInChI=1S/C11H18OS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,8,10-11H,1-3,5-7,9H2
InChIKeyJHUCYNHKZWUHRZ-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Cyclopentyloxymethyl)-2,3-dihydrothiophene
CID 91295387
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Hexoxymethyl)-2,3-dihydrothiophene
CID 91432347
1-Methylidene-4-(2-methylsulfanylethoxy)cyclohexane
CID 91474475
2-Ethyloxetane;2-propyl-2,3-dihydrothiophene
CID 142087295

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene (CID 91249774) is 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene is C1=CSC(COC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene?
The InChIKey is JHUCYNHKZWUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,8,10-11H,1-3,5-7,9H2.
What are the key properties of 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene?
2-(cyclohexyloxymethyl)-2,3-dihydrothiophene has a molecular weight of 198.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 91249774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).