2-propoxy-3-propyl-2,3-dihydrothiophene

C10H18OS — CID 57105878

IUPAC2-propoxy-3-propyl-2,3-dihydrothiophene
SMILESCCCOC1SC=CC1CCC
InChIInChI=1S/C10H18OS/c1-3-5-9-6-8-12-10(9)11-7-4-2/h6,8-10H,3-5,7H2,1-2H3
InChIKeyPWHGIXNKCQDGLA-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.42
Rot. Bonds5

About 2-propoxy-3-propyl-2,3-dihydrothiophene

2-propoxy-3-propyl-2,3-dihydrothiophene (PubChem CID 57105878) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-propoxy-3-propyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-propoxy-3-propyl-2,3-dihydrothiophene
PubChem CID57105878
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-propoxy-3-propyl-2,3-dihydrothiophene
SMILESCCCOC1SC=CC1CCC
InChIInChI=1S/C10H18OS/c1-3-5-9-6-8-12-10(9)11-7-4-2/h6,8-10H,3-5,7H2,1-2H3
InChIKeyPWHGIXNKCQDGLA-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-propyl-2,3-dihydrothiophene?
The IUPAC name of 2-propoxy-3-propyl-2,3-dihydrothiophene (CID 57105878) is 2-propoxy-3-propyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-propoxy-3-propyl-2,3-dihydrothiophene?
The canonical SMILES for 2-propoxy-3-propyl-2,3-dihydrothiophene is CCCOC1SC=CC1CCC.
What is the InChIKey of 2-propoxy-3-propyl-2,3-dihydrothiophene?
The InChIKey is PWHGIXNKCQDGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-5-9-6-8-12-10(9)11-7-4-2/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 2-propoxy-3-propyl-2,3-dihydrothiophene?
2-propoxy-3-propyl-2,3-dihydrothiophene has a molecular weight of 186.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-propyl-2,3-dihydrothiophene is sourced from PubChem (CID 57105878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).