(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene

C11H14S — CID 134533652

IUPAC(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
SMILESC=C/C=c1/sc(CC)c/c1=C/C
InChIInChI=1S/C11H14S/c1-4-7-11-9(5-2)8-10(6-3)12-11/h4-5,7-8H,1,6H2,2-3H3/b9-5-,11-7+
InChIKeyMEMBGXSEDYMSLT-KGAZIEBHSA-N
MW178.30 g/mol
LogP2.08
Rot. Bonds2

About (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene

(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene (PubChem CID 134533652) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
PubChem CID134533652
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
SMILESC=C/C=c1/sc(CC)c/c1=C/C
InChIInChI=1S/C11H14S/c1-4-7-11-9(5-2)8-10(6-3)12-11/h4-5,7-8H,1,6H2,2-3H3/b9-5-,11-7+
InChIKeyMEMBGXSEDYMSLT-KGAZIEBHSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
The IUPAC name of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene (CID 134533652) is (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene.
What is the SMILES notation for (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
The canonical SMILES for (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene is C=C/C=c1/sc(CC)c/c1=C/C.
What is the InChIKey of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
The InChIKey is MEMBGXSEDYMSLT-KGAZIEBHSA-N. The full InChI is InChI=1S/C11H14S/c1-4-7-11-9(5-2)8-10(6-3)12-11/h4-5,7-8H,1,6H2,2-3H3/b9-5-,11-7+.
What are the key properties of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene has a molecular weight of 178.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene is sourced from PubChem (CID 134533652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).