(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene

C15H16S — CID 130206805

IUPAC(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene
SMILESC=C/C=c1/c(C=C)c(/C=C\C)s/c1=C/C=C
InChIInChI=1S/C15H16S/c1-5-9-13-12(8-4)14(10-6-2)16-15(13)11-7-3/h5-11H,1,3-4H2,2H3/b10-6-,13-9-,15-11+
InChIKeyZHBIHRPXMMHZGW-BFZGWEHXSA-N
MW228.36 g/mol
LogP3.36
Rot. Bonds4

About (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene

(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene (PubChem CID 130206805) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene.

Molecular Properties

Compound Name(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene
PubChem CID130206805
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene
SMILESC=C/C=c1/c(C=C)c(/C=C\C)s/c1=C/C=C
InChIInChI=1S/C15H16S/c1-5-9-13-12(8-4)14(10-6-2)16-15(13)11-7-3/h5-11H,1,3-4H2,2H3/b10-6-,13-9-,15-11+
InChIKeyZHBIHRPXMMHZGW-BFZGWEHXSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene?
The IUPAC name of (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene (CID 130206805) is (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene.
What is the SMILES notation for (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene?
The canonical SMILES for (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene is C=C/C=c1/c(C=C)c(/C=C\C)s/c1=C/C=C.
What is the InChIKey of (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene?
The InChIKey is ZHBIHRPXMMHZGW-BFZGWEHXSA-N. The full InChI is InChI=1S/C15H16S/c1-5-9-13-12(8-4)14(10-6-2)16-15(13)11-7-3/h5-11H,1,3-4H2,2H3/b10-6-,13-9-,15-11+.
What are the key properties of (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene?
(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene has a molecular weight of 228.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene is sourced from PubChem (CID 130206805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).