methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal

C11H20O2S — CID 177018319

IUPACmethoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal
SMILESCC1CSC=C1CCC=O.CCOC
InChIInChI=1S/C8H12OS.C3H8O/c1-7-5-10-6-8(7)3-2-4-9;1-3-4-2/h4,6-7H,2-3,5H2,1H3;3H2,1-2H3
InChIKeyOOKYELJPHCFOLW-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.88
Rot. Bonds4

About methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal

methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal (PubChem CID 177018319) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal.

Molecular Properties

Compound Namemethoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal
PubChem CID177018319
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namemethoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal
SMILESCC1CSC=C1CCC=O.CCOC
InChIInChI=1S/C8H12OS.C3H8O/c1-7-5-10-6-8(7)3-2-4-9;1-3-4-2/h4,6-7H,2-3,5H2,1H3;3H2,1-2H3
InChIKeyOOKYELJPHCFOLW-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal?
The IUPAC name of methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal (CID 177018319) is methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal.
What is the SMILES notation for methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal?
The canonical SMILES for methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal is CC1CSC=C1CCC=O.CCOC.
What is the InChIKey of methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal?
The InChIKey is OOKYELJPHCFOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS.C3H8O/c1-7-5-10-6-8(7)3-2-4-9;1-3-4-2/h4,6-7H,2-3,5H2,1H3;3H2,1-2H3.
What are the key properties of methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal?
methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal has a molecular weight of 216.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-(3-methyl-2,3-dihydrothiophen-4-yl)propanal is sourced from PubChem (CID 177018319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).