5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene

C16H18S — CID 141433777

IUPAC5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
SMILESC=CC1(SC2(C=C)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C16H18S/c1-3-15(11-7-5-8-12-15)17-16(4-2)13-9-6-10-14-16/h3-11,13H,1-2,12,14H2
InChIKeyRUSZYWJNOBYYNE-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.60
Rot. Bonds4

About 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene

5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene (PubChem CID 141433777) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
PubChem CID141433777
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
SMILESC=CC1(SC2(C=C)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C16H18S/c1-3-15(11-7-5-8-12-15)17-16(4-2)13-9-6-10-14-16/h3-11,13H,1-2,12,14H2
InChIKeyRUSZYWJNOBYYNE-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene
CID 139914125
6-ethyl-2,2,6-trimethyl-3H-thiopyran
CID 303449
1,4-Bis(cyclohexa-1,3-dien-1-ylsulfanyl)cyclohexa-1,3-diene
CID 58960670
4-Cyclohexa-1,3-dien-1-ylsulfanyl-1,5-dimethylcyclohexa-1,3-diene
CID 70865588
1-Cyclohexa-1,3-dien-1-ylsulfanyl-4-methylcyclohexa-1,3-diene
CID 71110721
2,5-Di(cyclohexa-1,5-dien-1-yl)-2,3-dihydrothiophene
CID 71192530
(2E,6E,8E,10E)-12-[(3E,5E,7E,11E)-2,3-dimethyltrideca-3,5,7,11-tetraen-2-yl]sulfanyl-11,12-dimethyltrideca-2,6,8,10-tetraene
CID 88197161
1-[(3E)-6-methylhepta-3,5-dien-3-yl]sulfanylcyclohexa-1,3-diene
CID 89284117
2-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methylidenethiopyran
CID 89383397
2-Methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)sulfanylcyclohexa-1,3-diene
CID 121296819
Cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-(1-methylcyclohexa-2,4-dien-1-yl)-methylidene-lambda6-sulfane
CID 123308547
2-(2-Methylbutan-2-ylsulfanyl)hexa-1,3-diene
CID 123320403

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene (CID 141433777) is 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene is C=CC1(SC2(C=C)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
The InChIKey is RUSZYWJNOBYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-3-15(11-7-5-8-12-15)17-16(4-2)13-9-6-10-14-16/h3-11,13H,1-2,12,14H2.
What are the key properties of 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene has a molecular weight of 242.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 141433777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).