2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene

C16H24S2 — CID 58758083

IUPAC2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene
SMILESCC1=CC(C)C(/C(C)=C(/C)C2SC(C)=CC2C)S1
InChIInChI=1S/C16H24S2/c1-9-7-11(3)17-15(9)13(5)14(6)16-10(2)8-12(4)18-16/h7-10,15-16H,1-6H3/b14-13-
InChIKeyRECKXBUUYGSQTD-YPKPFQOOSA-N
MW280.50 g/mol
LogP5.63
Rot. Bonds2

About 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene

2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene (PubChem CID 58758083) has the molecular formula C16H24S2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene
PubChem CID58758083
Molecular FormulaC16H24S2
Molecular Weight280.50 g/mol
Exact Mass280.13
IUPAC Name2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene
SMILESCC1=CC(C)C(/C(C)=C(/C)C2SC(C)=CC2C)S1
InChIInChI=1S/C16H24S2/c1-9-7-11(3)17-15(9)13(5)14(6)16-10(2)8-12(4)18-16/h7-10,15-16H,1-6H3/b14-13-
InChIKeyRECKXBUUYGSQTD-YPKPFQOOSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
2-(2,6-Dimethylhept-5-EN-1-YL)-1,3-dithiolane
CID 15438874
Gdtrcqamzarbnn-uhfffaoysa-
CID 21671683
2-(6-Methylhept-5-en-2-yl)-1,3-dithiane
CID 71359366
(E)-5-butylsulfanyl-3-methylnon-4-ene
CID 102371658
2,6-Dimethyl-7,7-bis(methylsulfanyl)hept-2-ene
CID 13685570
8-(3,7-Dimethyloct-6-enylsulfanyl)-2,6-dimethyloct-2-ene
CID 14610171
2,6-Dimethyl-8-propan-2-ylsulfanyloct-2-ene
CID 14689106
3,5-Bis(2,3-dihydrothiophen-2-yl)-2,3-dihydrothiophene
CID 19937208
4-ethyl-5,5-dimethyl-2H-thiophene
CID 53641211
5,5-dimethyl-4-propyl-2H-thiophene
CID 54280879

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene?
The IUPAC name of 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene (CID 58758083) is 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene?
The canonical SMILES for 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene is CC1=CC(C)C(/C(C)=C(/C)C2SC(C)=CC2C)S1.
What is the InChIKey of 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene?
The InChIKey is RECKXBUUYGSQTD-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H24S2/c1-9-7-11(3)17-15(9)13(5)14(6)16-10(2)8-12(4)18-16/h7-10,15-16H,1-6H3/b14-13-.
What are the key properties of 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene?
2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene has a molecular weight of 280.50 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 58758083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).