5-(thiophen-2-ylmethoxy)pentan-2-one

C10H14O2S — CID 62033282

IUPAC5-(thiophen-2-ylmethoxy)pentan-2-one
SMILESCC(=O)CCCOCc1cccs1
InChIInChI=1S/C10H14O2S/c1-9(11)4-2-6-12-8-10-5-3-7-13-10/h3,5,7H,2,4,6,8H2,1H3
InChIKeyARGFQOWQBNKDKW-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.63
Rot. Bonds6

About 5-(thiophen-2-ylmethoxy)pentan-2-one

5-(thiophen-2-ylmethoxy)pentan-2-one (PubChem CID 62033282) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethoxy)pentan-2-one.

Molecular Properties

Compound Name5-(thiophen-2-ylmethoxy)pentan-2-one
PubChem CID62033282
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name5-(thiophen-2-ylmethoxy)pentan-2-one
SMILESCC(=O)CCCOCc1cccs1
InChIInChI=1S/C10H14O2S/c1-9(11)4-2-6-12-8-10-5-3-7-13-10/h3,5,7H,2,4,6,8H2,1H3
InChIKeyARGFQOWQBNKDKW-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(thiophen-2-ylmethoxy)hexan-2-one
CID 62033101
6-(thiophen-2-ylmethoxy)hexan-3-one
CID 106802084
6-(thiophen-2-ylmethoxy)hexyl methanesulfonate
CID 15880665
2-(hexoxymethyl)thiophene
CID 57182867
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
2-(ethoxymethyl)thiophene
CID 12699283
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
thiophen-2-ylmethyl dodecanoate
CID 139970081

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethoxy)pentan-2-one?
The IUPAC name of 5-(thiophen-2-ylmethoxy)pentan-2-one (CID 62033282) is 5-(thiophen-2-ylmethoxy)pentan-2-one.
What is the SMILES notation for 5-(thiophen-2-ylmethoxy)pentan-2-one?
The canonical SMILES for 5-(thiophen-2-ylmethoxy)pentan-2-one is CC(=O)CCCOCc1cccs1.
What is the InChIKey of 5-(thiophen-2-ylmethoxy)pentan-2-one?
The InChIKey is ARGFQOWQBNKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-9(11)4-2-6-12-8-10-5-3-7-13-10/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of 5-(thiophen-2-ylmethoxy)pentan-2-one?
5-(thiophen-2-ylmethoxy)pentan-2-one has a molecular weight of 198.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethoxy)pentan-2-one is sourced from PubChem (CID 62033282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).