(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal

C13H16O3S — CID 10753319

IUPAC(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal
SMILESO=C/C(=C/COC1CCCCO1)c1cccs1
InChIInChI=1S/C13H16O3S/c14-10-11(12-4-3-9-17-12)6-8-16-13-5-1-2-7-15-13/h3-4,6,9-10,13H,1-2,5,7-8H2/b11-6-
InChIKeyPZNJNAXCUJCLLG-WDZFZDKYSA-N
MW252.33 g/mol
LogP2.87
Rot. Bonds5

About (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal

(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal (PubChem CID 10753319) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal.

Molecular Properties

Compound Name(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal
PubChem CID10753319
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal
SMILESO=C/C(=C/COC1CCCCO1)c1cccs1
InChIInChI=1S/C13H16O3S/c14-10-11(12-4-3-9-17-12)6-8-16-13-5-1-2-7-15-13/h3-4,6,9-10,13H,1-2,5,7-8H2/b11-6-
InChIKeyPZNJNAXCUJCLLG-WDZFZDKYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-thiophen-2-ylprop-2-enoxy)oxane
CID 11345120
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514
2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
CID 102509927
(E)-2-bromo-4-(oxan-2-yloxy)but-2-enoic acid
CID 87487170
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 51130706
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
CID 26384987
N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
CID 60613224
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal?
The IUPAC name of (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal (CID 10753319) is (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal.
What is the SMILES notation for (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal?
The canonical SMILES for (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal is O=C/C(=C/COC1CCCCO1)c1cccs1.
What is the InChIKey of (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal?
The InChIKey is PZNJNAXCUJCLLG-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H16O3S/c14-10-11(12-4-3-9-17-12)6-8-16-13-5-1-2-7-15-13/h3-4,6,9-10,13H,1-2,5,7-8H2/b11-6-.
What are the key properties of (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal?
(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal has a molecular weight of 252.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal is sourced from PubChem (CID 10753319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).