(E)-2-thiophen-3-ylhept-2-enal

C11H14OS — CID 10655448

IUPAC(E)-2-thiophen-3-ylhept-2-enal
SMILESCCCC/C=C(/C=O)c1ccsc1
InChIInChI=1S/C11H14OS/c1-2-3-4-5-10(8-12)11-6-7-13-9-11/h5-9H,2-4H2,1H3/b10-5-
InChIKeyWZAFHVWPCHVGTH-YHYXMXQVSA-N
MW194.30 g/mol
LogP3.52
Rot. Bonds5

About (E)-2-thiophen-3-ylhept-2-enal

(E)-2-thiophen-3-ylhept-2-enal (PubChem CID 10655448) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (E)-2-thiophen-3-ylhept-2-enal.

Molecular Properties

Compound Name(E)-2-thiophen-3-ylhept-2-enal
PubChem CID10655448
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(E)-2-thiophen-3-ylhept-2-enal
SMILESCCCC/C=C(/C=O)c1ccsc1
InChIInChI=1S/C11H14OS/c1-2-3-4-5-10(8-12)11-6-7-13-9-11/h5-9H,2-4H2,1H3/b10-5-
InChIKeyWZAFHVWPCHVGTH-YHYXMXQVSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3-di(thiophen-3-yl)prop-2-enal
CID 134947754
(E)-1-thiophen-3-ylnon-2-en-1-one
CID 68620021
2-phenylhex-2-enal
CID 3023641
3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
CID 11771158
3-butoxy-1-thiophen-3-ylpropan-1-one
CID 115001826
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
3-heptylthiophene;oxaldehyde
CID 175169306
3-but-1-en-2-ylthiophene
CID 91086928
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
3-thiophen-3-ylbut-2-en-1-amine
CID 76997053
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031
(Z)-2-triphenylstannylhept-2-enal
CID 10600078

Frequently Asked Questions

What is the IUPAC name of (E)-2-thiophen-3-ylhept-2-enal?
The IUPAC name of (E)-2-thiophen-3-ylhept-2-enal (CID 10655448) is (E)-2-thiophen-3-ylhept-2-enal.
What is the SMILES notation for (E)-2-thiophen-3-ylhept-2-enal?
The canonical SMILES for (E)-2-thiophen-3-ylhept-2-enal is CCCC/C=C(/C=O)c1ccsc1.
What is the InChIKey of (E)-2-thiophen-3-ylhept-2-enal?
The InChIKey is WZAFHVWPCHVGTH-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H14OS/c1-2-3-4-5-10(8-12)11-6-7-13-9-11/h5-9H,2-4H2,1H3/b10-5-.
What are the key properties of (E)-2-thiophen-3-ylhept-2-enal?
(E)-2-thiophen-3-ylhept-2-enal has a molecular weight of 194.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-thiophen-3-ylhept-2-enal is sourced from PubChem (CID 10655448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).