2-(2-propoxyethyl)-2,3-dihydrothiophene

C9H16OS — CID 70647710

IUPAC2-(2-propoxyethyl)-2,3-dihydrothiophene
SMILESCCCOCCC1CC=CS1
InChIInChI=1S/C9H16OS/c1-2-6-10-7-5-9-4-3-8-11-9/h3,8-9H,2,4-7H2,1H3
InChIKeyOABDBERZNQYURL-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds5

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

2-(2-propoxyethyl)-2,3-dihydrothiophene (PubChem CID 70647710) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(2-propoxyethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2-propoxyethyl)-2,3-dihydrothiophene
PubChem CID70647710
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(2-propoxyethyl)-2,3-dihydrothiophene
SMILESCCCOCCC1CC=CS1
InChIInChI=1S/C9H16OS/c1-2-6-10-7-5-9-4-3-8-11-9/h3,8-9H,2,4-7H2,1H3
InChIKeyOABDBERZNQYURL-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2-propoxyethyl)-2,3-dihydrothiophene (CID 70647710) is 2-(2-propoxyethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2-propoxyethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2-propoxyethyl)-2,3-dihydrothiophene is CCCOCCC1CC=CS1.
What is the InChIKey of 2-(2-propoxyethyl)-2,3-dihydrothiophene?
The InChIKey is OABDBERZNQYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-6-10-7-5-9-4-3-8-11-9/h3,8-9H,2,4-7H2,1H3.
What are the key properties of 2-(2-propoxyethyl)-2,3-dihydrothiophene?
2-(2-propoxyethyl)-2,3-dihydrothiophene has a molecular weight of 172.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 70647710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).