1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene

C15H20S — CID 143670977

IUPAC1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene
SMILESC=C/C=C(\SC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H20S/c1-5-6-15(16-4)14-9-7-13(8-10-14)11-12(2)3/h5-10,12H,1,11H2,2-4H3/b15-6-
InChIKeyZZGKKOZGOJMIIQ-UUASQNMZSA-N
MW232.39 g/mol
LogP4.78
Rot. Bonds5

About 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene

1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene (PubChem CID 143670977) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene
PubChem CID143670977
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene
SMILESC=C/C=C(\SC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H20S/c1-5-6-15(16-4)14-9-7-13(8-10-14)11-12(2)3/h5-10,12H,1,11H2,2-4H3/b15-6-
InChIKeyZZGKKOZGOJMIIQ-UUASQNMZSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 53434068
1-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]-4-(2-methylpropyl)benzene
CID 12819462
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
methyl 4-(2-methylpropyl)benzenecarboximidothioate
CID 116827867
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide
CID 94266199
4-[4-(2-methylpropyl)phenyl]pent-3-en-2-ol
CID 54082921
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998
S-methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanethioate
CID 11276414
(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
CID 5488589

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene?
The IUPAC name of 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene (CID 143670977) is 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene is C=C/C=C(\SC)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene?
The InChIKey is ZZGKKOZGOJMIIQ-UUASQNMZSA-N. The full InChI is InChI=1S/C15H20S/c1-5-6-15(16-4)14-9-7-13(8-10-14)11-12(2)3/h5-10,12H,1,11H2,2-4H3/b15-6-.
What are the key properties of 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene?
1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene has a molecular weight of 232.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 143670977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).