(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal

C10H10OS — CID 10678894

IUPAC(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal
SMILESCC(=C/C=O)/C=C/c1cccs1
InChIInChI=1S/C10H10OS/c1-9(6-7-11)4-5-10-3-2-8-12-10/h2-8H,1H3/b5-4+,9-6-
InChIKeyRXINRHPBSKIGFG-WEHQGULRSA-N
MW178.26 g/mol
LogP2.91
Rot. Bonds3

About (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal

(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal (PubChem CID 10678894) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal
PubChem CID10678894
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal
SMILESCC(=C/C=O)/C=C/c1cccs1
InChIInChI=1S/C10H10OS/c1-9(6-7-11)4-5-10-3-2-8-12-10/h2-8H,1H3/b5-4+,9-6-
InChIKeyRXINRHPBSKIGFG-WEHQGULRSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
CID 59090948
CID 59090948
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(E)-2-thiophen-2-ylethenol
CID 89297537
triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane
CID 23244859
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(Z)-3-thiophen-2-ylbut-2-enal
CID 87836087
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485
1-(4-aminophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 53405742
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 47028560

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal?
The IUPAC name of (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal (CID 10678894) is (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal.
What is the SMILES notation for (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal?
The canonical SMILES for (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal is CC(=C/C=O)/C=C/c1cccs1.
What is the InChIKey of (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal?
The InChIKey is RXINRHPBSKIGFG-WEHQGULRSA-N. The full InChI is InChI=1S/C10H10OS/c1-9(6-7-11)4-5-10-3-2-8-12-10/h2-8H,1H3/b5-4+,9-6-.
What are the key properties of (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal?
(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal has a molecular weight of 178.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal is sourced from PubChem (CID 10678894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).