6-(thiophen-2-ylmethoxy)hexan-3-one

C11H16O2S — CID 106802084

IUPAC6-(thiophen-2-ylmethoxy)hexan-3-one
SMILESCCC(=O)CCCOCc1cccs1
InChIInChI=1S/C11H16O2S/c1-2-10(12)5-3-7-13-9-11-6-4-8-14-11/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeyRUCWZMPCFUMUNV-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.02
Rot. Bonds7

About 6-(thiophen-2-ylmethoxy)hexan-3-one

6-(thiophen-2-ylmethoxy)hexan-3-one (PubChem CID 106802084) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 6-(thiophen-2-ylmethoxy)hexan-3-one.

Molecular Properties

Compound Name6-(thiophen-2-ylmethoxy)hexan-3-one
PubChem CID106802084
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name6-(thiophen-2-ylmethoxy)hexan-3-one
SMILESCCC(=O)CCCOCc1cccs1
InChIInChI=1S/C11H16O2S/c1-2-10(12)5-3-7-13-9-11-6-4-8-14-11/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeyRUCWZMPCFUMUNV-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.02
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

5-(thiophen-2-ylmethoxy)pentan-2-one
CID 62033282
6-(thiophen-2-ylmethoxy)hexan-2-one
CID 62033101
2-(hexoxymethyl)thiophene
CID 57182867
2-(ethoxymethyl)thiophene
CID 12699283
6-(thiophen-2-ylmethoxy)hexyl methanesulfonate
CID 15880665
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
thiophen-2-ylmethyl dodecanoate
CID 139970081
3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-2-ylmethoxy)hexan-3-one?
The IUPAC name of 6-(thiophen-2-ylmethoxy)hexan-3-one (CID 106802084) is 6-(thiophen-2-ylmethoxy)hexan-3-one.
What is the SMILES notation for 6-(thiophen-2-ylmethoxy)hexan-3-one?
The canonical SMILES for 6-(thiophen-2-ylmethoxy)hexan-3-one is CCC(=O)CCCOCc1cccs1.
What is the InChIKey of 6-(thiophen-2-ylmethoxy)hexan-3-one?
The InChIKey is RUCWZMPCFUMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-2-10(12)5-3-7-13-9-11-6-4-8-14-11/h4,6,8H,2-3,5,7,9H2,1H3.
What are the key properties of 6-(thiophen-2-ylmethoxy)hexan-3-one?
6-(thiophen-2-ylmethoxy)hexan-3-one has a molecular weight of 212.31 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-2-ylmethoxy)hexan-3-one is sourced from PubChem (CID 106802084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).