(3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione

C20H20O3S2 — CID 101016188

IUPAC(3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione
SMILESC/C(=C1/C(=O)OC(=O)/C1=C(/C)c1cc(C)sc1C)c1cc(C)sc1C
InChIInChI=1S/C20H20O3S2/c1-9-7-15(13(5)24-9)11(3)17-18(20(22)23-19(17)21)12(4)16-8-10(2)25-14(16)6/h7-8H,1-6H3/b17-11-,18-12-
InChIKeyVIWHADIKUNZVAW-WHYMJUELSA-N
MW372.51 g/mol
LogP5.37
Rot. Bonds2

About (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione

(3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione (PubChem CID 101016188) has the molecular formula C20H20O3S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione.

Molecular Properties

Compound Name(3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione
PubChem CID101016188
Molecular FormulaC20H20O3S2
Molecular Weight372.51 g/mol
Exact Mass372.09
IUPAC Name(3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione
SMILESC/C(=C1/C(=O)OC(=O)/C1=C(/C)c1cc(C)sc1C)c1cc(C)sc1C
InChIInChI=1S/C20H20O3S2/c1-9-7-15(13(5)24-9)11(3)17-18(20(22)23-19(17)21)12(4)16-8-10(2)25-14(16)6/h7-8H,1-6H3/b17-11-,18-12-
InChIKeyVIWHADIKUNZVAW-WHYMJUELSA-N
XLogP5.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione with MolForge

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Related Compounds

(3Z)-3-[1-(2,5-dimethylthiophen-3-yl)ethylidene]-1-phenyl-4-propan-2-ylidenepyrrolidine-2,5-dione
CID 13007002
N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine
CID 71370058
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215
3-[1-(2-methyl-1H-indol-3-yl)ethylidene]-4-propan-2-ylideneoxolane-2,5-dione
CID 4866736
(3Z)-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylidene]-4-propan-2-ylideneoxolane-2,5-dione
CID 132545134
ethane;methyl 2,5-dimethylthiophene-3-carboxylate
CID 143851717
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
2-bromo-1-(2,5-dimethylthiophen-3-yl)propan-1-one
CID 43144150
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
(Z)-2,3-bis(2,5-dimethylthiophen-3-yl)but-2-enedinitrile
CID 67965891
1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
CID 43339474
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione?
The IUPAC name of (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione (CID 101016188) is (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione.
What is the SMILES notation for (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione?
The canonical SMILES for (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione is C/C(=C1/C(=O)OC(=O)/C1=C(/C)c1cc(C)sc1C)c1cc(C)sc1C.
What is the InChIKey of (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione?
The InChIKey is VIWHADIKUNZVAW-WHYMJUELSA-N. The full InChI is InChI=1S/C20H20O3S2/c1-9-7-15(13(5)24-9)11(3)17-18(20(22)23-19(17)21)12(4)16-8-10(2)25-14(16)6/h7-8H,1-6H3/b17-11-,18-12-.
What are the key properties of (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione?
(3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione has a molecular weight of 372.51 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3,4-bis[1-(2,5-dimethylthiophen-3-yl)ethylidene]oxolane-2,5-dione is sourced from PubChem (CID 101016188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).