2-methyl-1-(oxan-2-yl)propan-1-one;thiophene

C13H20O2S — CID 174401810

IUPAC2-methyl-1-(oxan-2-yl)propan-1-one;thiophene
SMILESCC(C)C(=O)C1CCCCO1.c1ccsc1
InChIInChI=1S/C9H16O2.C4H4S/c1-7(2)9(10)8-5-3-4-6-11-8;1-2-4-5-3-1/h7-8H,3-6H2,1-2H3;1-4H
InChIKeyUXQWCGSJEAYHTD-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.53
Rot. Bonds2

About 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene

2-methyl-1-(oxan-2-yl)propan-1-one;thiophene (PubChem CID 174401810) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene.

Molecular Properties

Compound Name2-methyl-1-(oxan-2-yl)propan-1-one;thiophene
PubChem CID174401810
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-methyl-1-(oxan-2-yl)propan-1-one;thiophene
SMILESCC(C)C(=O)C1CCCCO1.c1ccsc1
InChIInChI=1S/C9H16O2.C4H4S/c1-7(2)9(10)8-5-3-4-6-11-8;1-2-4-5-3-1/h7-8H,3-6H2,1-2H3;1-4H
InChIKeyUXQWCGSJEAYHTD-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene?
The IUPAC name of 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene (CID 174401810) is 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene.
What is the SMILES notation for 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene?
The canonical SMILES for 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene is CC(C)C(=O)C1CCCCO1.c1ccsc1.
What is the InChIKey of 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene?
The InChIKey is UXQWCGSJEAYHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C4H4S/c1-7(2)9(10)8-5-3-4-6-11-8;1-2-4-5-3-1/h7-8H,3-6H2,1-2H3;1-4H.
What are the key properties of 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene?
2-methyl-1-(oxan-2-yl)propan-1-one;thiophene has a molecular weight of 240.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-2-yl)propan-1-one;thiophene is sourced from PubChem (CID 174401810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).