3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene

C9H16OS — CID 174567378

IUPAC3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene
SMILESCOCCC1CSC(C)=C1C
InChIInChI=1S/C9H16OS/c1-7-8(2)11-6-9(7)4-5-10-3/h9H,4-6H2,1-3H3
InChIKeyYHDUSEAEYCLBGO-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene

3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene (PubChem CID 174567378) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene
PubChem CID174567378
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene
SMILESCOCCC1CSC(C)=C1C
InChIInChI=1S/C9H16OS/c1-7-8(2)11-6-9(7)4-5-10-3/h9H,4-6H2,1-3H3
InChIKeyYHDUSEAEYCLBGO-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
CID 101789478
2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene
CID 123185657
2-(2-Ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene
CID 142075081
(5Z)-4,5-dimethyl-6-(methylsulfanylmethyl)-3,4,7,8-tetrahydro-2H-oxocine
CID 169930924
(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
CID 102177919

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene?
The IUPAC name of 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene (CID 174567378) is 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene?
The canonical SMILES for 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene is COCCC1CSC(C)=C1C.
What is the InChIKey of 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene?
The InChIKey is YHDUSEAEYCLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7-8(2)11-6-9(7)4-5-10-3/h9H,4-6H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene?
3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene has a molecular weight of 172.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 174567378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).