2-(10-thiophen-2-yldecoxy)oxane

C19H32O2S — CID 71403514

IUPAC2-(10-thiophen-2-yldecoxy)oxane
SMILESc1csc(CCCCCCCCCCOC2CCCCO2)c1
InChIInChI=1S/C19H32O2S/c1(3-5-7-12-18-13-11-17-22-18)2-4-6-9-15-20-19-14-8-10-16-21-19/h11,13,17,19H,1-10,12,14-16H2
InChIKeyJBDKRTMOBAMOSC-UHFFFAOYSA-N
MW324.53 g/mol
LogP5.95
Rot. Bonds12

About 2-(10-thiophen-2-yldecoxy)oxane

2-(10-thiophen-2-yldecoxy)oxane (PubChem CID 71403514) has the molecular formula C19H32O2S and a molecular weight of 324.53 g/mol. Its IUPAC name is 2-(10-thiophen-2-yldecoxy)oxane.

Molecular Properties

Compound Name2-(10-thiophen-2-yldecoxy)oxane
PubChem CID71403514
Molecular FormulaC19H32O2S
Molecular Weight324.53 g/mol
Exact Mass324.21
IUPAC Name2-(10-thiophen-2-yldecoxy)oxane
SMILESc1csc(CCCCCCCCCCOC2CCCCO2)c1
InChIInChI=1S/C19H32O2S/c1(3-5-7-12-18-13-11-17-22-18)2-4-6-9-15-20-19-14-8-10-16-21-19/h11,13,17,19H,1-10,12,14-16H2
InChIKeyJBDKRTMOBAMOSC-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(10-thiophen-2-yldecoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[11-(2-bromothiophen-3-yl)undecoxy]oxane
CID 15538798
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
2-[5-(furan-2-yl)pentoxy]oxane
CID 102163402
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(8-methoxyoctyl)thiophene
CID 139537837

Frequently Asked Questions

What is the IUPAC name of 2-(10-thiophen-2-yldecoxy)oxane?
The IUPAC name of 2-(10-thiophen-2-yldecoxy)oxane (CID 71403514) is 2-(10-thiophen-2-yldecoxy)oxane.
What is the SMILES notation for 2-(10-thiophen-2-yldecoxy)oxane?
The canonical SMILES for 2-(10-thiophen-2-yldecoxy)oxane is c1csc(CCCCCCCCCCOC2CCCCO2)c1.
What is the InChIKey of 2-(10-thiophen-2-yldecoxy)oxane?
The InChIKey is JBDKRTMOBAMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2S/c1(3-5-7-12-18-13-11-17-22-18)2-4-6-9-15-20-19-14-8-10-16-21-19/h11,13,17,19H,1-10,12,14-16H2.
What are the key properties of 2-(10-thiophen-2-yldecoxy)oxane?
2-(10-thiophen-2-yldecoxy)oxane has a molecular weight of 324.53 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-thiophen-2-yldecoxy)oxane is sourced from PubChem (CID 71403514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).