2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene

C16H18S — CID 71192530

IUPAC2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene
SMILESC1=CC(C2=CCC(C3=CCCC=C3)S2)=CCC1
InChIInChI=1S/C16H18S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h3,5,7-11,16H,1-2,4,6,12H2
InChIKeyKBFHYHHLCFWMHH-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.93
Rot. Bonds2

About 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene

2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene (PubChem CID 71192530) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene
PubChem CID71192530
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene
SMILESC1=CC(C2=CCC(C3=CCCC=C3)S2)=CCC1
InChIInChI=1S/C16H18S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h3,5,7-11,16H,1-2,4,6,12H2
InChIKeyKBFHYHHLCFWMHH-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene?
The IUPAC name of 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene (CID 71192530) is 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene?
The canonical SMILES for 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene is C1=CC(C2=CCC(C3=CCCC=C3)S2)=CCC1.
What is the InChIKey of 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene?
The InChIKey is KBFHYHHLCFWMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h3,5,7-11,16H,1-2,4,6,12H2.
What are the key properties of 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene?
2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene has a molecular weight of 242.39 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 71192530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).