(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene

C14H16S — CID 129075271

IUPAC(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene
SMILESC=C/C=c1/sc(/C=C\C)c(C=C)/c1=C/C
InChIInChI=1S/C14H16S/c1-5-9-13-11(7-3)12(8-4)14(15-13)10-6-2/h5-10H,1,4H2,2-3H3/b10-6-,11-7-,13-9+
InChIKeyRDQSXIHGPOUPFM-RKHGEDRLSA-N
MW216.35 g/mol
LogP3.19
Rot. Bonds3

About (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene

(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene (PubChem CID 129075271) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene
PubChem CID129075271
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene
SMILESC=C/C=c1/sc(/C=C\C)c(C=C)/c1=C/C
InChIInChI=1S/C14H16S/c1-5-9-13-11(7-3)12(8-4)14(15-13)10-6-2/h5-10H,1,4H2,2-3H3/b10-6-,11-7-,13-9+
InChIKeyRDQSXIHGPOUPFM-RKHGEDRLSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-Di-tert-butylthiepin
CID 145017
5-[2,3-Bis(tert-butylsulfanyl)cycloprop-2-en-1-ylidene]cyclopenta-1,3-diene
CID 13020089
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
CID 145203814
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037
Ethylfurfuryl sulfide
CID 528326
2,7-Diisopropylthiepin
CID 129654671
2-(Ethylthio)-6,10-dimethyl-1,3,5,9-undecatetraene
CID 129804243
2,7-Di-tert-butylthiepin, 4-methyl-
CID 145031
1-(1-Tert-butylsulfanylethyl)-4-fluorobenzene-6-ide
CID 101857950
Butyl furfuryl sulfide
CID 528325

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene?
The IUPAC name of (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene (CID 129075271) is (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene.
What is the SMILES notation for (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene?
The canonical SMILES for (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene is C=C/C=c1/sc(/C=C\C)c(C=C)/c1=C/C.
What is the InChIKey of (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene?
The InChIKey is RDQSXIHGPOUPFM-RKHGEDRLSA-N. The full InChI is InChI=1S/C14H16S/c1-5-9-13-11(7-3)12(8-4)14(15-13)10-6-2/h5-10H,1,4H2,2-3H3/b10-6-,11-7-,13-9+.
What are the key properties of (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene?
(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene has a molecular weight of 216.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene is sourced from PubChem (CID 129075271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).