1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone

C10H12O3S — CID 62805632

IUPAC1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)C1COCCO1
InChIInChI=1S/C10H12O3S/c11-9(6-8-2-1-5-14-8)10-7-12-3-4-13-10/h1-2,5,10H,3-4,6-7H2
InChIKeyLDULXZBNHIRWSA-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.28
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone

1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone (PubChem CID 62805632) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
PubChem CID62805632
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)C1COCCO1
InChIInChI=1S/C10H12O3S/c11-9(6-8-2-1-5-14-8)10-7-12-3-4-13-10/h1-2,5,10H,3-4,6-7H2
InChIKeyLDULXZBNHIRWSA-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone (CID 62805632) is 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone?
The InChIKey is LDULXZBNHIRWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-9(6-8-2-1-5-14-8)10-7-12-3-4-13-10/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone?
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone has a molecular weight of 212.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 62805632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).