2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene

C17H18S — CID 145264549

IUPAC2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene
SMILESC=c1cc(C)cc/c1=C\C(=C/C)c1ccc(C)s1
InChIInChI=1S/C17H18S/c1-5-15(17-9-7-14(4)18-17)11-16-8-6-12(2)10-13(16)3/h5-11H,3H2,1-2,4H3/b15-5-,16-11-
InChIKeyQZLFBFHFJNWGGU-MBRQZVOSSA-N
MW254.40 g/mol
LogP3.66
Rot. Bonds2

About 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene

2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene (PubChem CID 145264549) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene
PubChem CID145264549
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene
SMILESC=c1cc(C)cc/c1=C\C(=C/C)c1ccc(C)s1
InChIInChI=1S/C17H18S/c1-5-15(17-9-7-14(4)18-17)11-16-8-6-12(2)10-13(16)3/h5-11H,3H2,1-2,4H3/b15-5-,16-11-
InChIKeyQZLFBFHFJNWGGU-MBRQZVOSSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z)-2-methyl-6-methylidene-5-[(Z)-2-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143566658
2-methyl-6-methylidene-5-propan-2-ylidenecyclohexa-1,3-diene
CID 145274755
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiophene
CID 89097049
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene
CID 123149212
(1Z)-1-(5-methylthiophen-2-yl)buta-1,3-diene-1-thiol
CID 142100877
2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
CID 15970252
5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine
CID 143652167
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
2-(5-methylthiophen-2-yl)ethene-1,1,2-tricarbonitrile
CID 142499561
2-(1-cyclopropylethenyl)-5-methylthiophene
CID 174334500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene?
The IUPAC name of 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene (CID 145264549) is 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene.
What is the SMILES notation for 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene?
The canonical SMILES for 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene is C=c1cc(C)cc/c1=C\C(=C/C)c1ccc(C)s1.
What is the InChIKey of 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene?
The InChIKey is QZLFBFHFJNWGGU-MBRQZVOSSA-N. The full InChI is InChI=1S/C17H18S/c1-5-15(17-9-7-14(4)18-17)11-16-8-6-12(2)10-13(16)3/h5-11H,3H2,1-2,4H3/b15-5-,16-11-.
What are the key properties of 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene?
2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene has a molecular weight of 254.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene is sourced from PubChem (CID 145264549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).