2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane

C12H16O2S — CID 11333579

IUPAC2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane
SMILESC/C(=C\OC1CCCCO1)c1ccsc1
InChIInChI=1S/C12H16O2S/c1-10(11-5-7-15-9-11)8-14-12-4-2-3-6-13-12/h5,7-9,12H,2-4,6H2,1H3/b10-8+
InChIKeyOLHLYTULLFXSMQ-CSKARUKUSA-N
MW224.32 g/mol
LogP3.65
Rot. Bonds3

About 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane

2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane (PubChem CID 11333579) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane
PubChem CID11333579
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane
SMILESC/C(=C\OC1CCCCO1)c1ccsc1
InChIInChI=1S/C12H16O2S/c1-10(11-5-7-15-9-11)8-14-12-4-2-3-6-13-12/h5,7-9,12H,2-4,6H2,1H3/b10-8+
InChIKeyOLHLYTULLFXSMQ-CSKARUKUSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde
CID 11253628
2-[(E)-prop-1-enoxy]oxane
CID 12835881
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
4-(oxan-2-yloxy)phenol
CID 11745519
2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
CID 102509927
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
CID 170406702

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane?
The IUPAC name of 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane (CID 11333579) is 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane.
What is the SMILES notation for 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane?
The canonical SMILES for 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane is C/C(=C\OC1CCCCO1)c1ccsc1.
What is the InChIKey of 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane?
The InChIKey is OLHLYTULLFXSMQ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H16O2S/c1-10(11-5-7-15-9-11)8-14-12-4-2-3-6-13-12/h5,7-9,12H,2-4,6H2,1H3/b10-8+.
What are the key properties of 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane?
2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane has a molecular weight of 224.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane is sourced from PubChem (CID 11333579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).